Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T84133 | Target Info | |||
| Target Name | Phosphodiesterase 10A (PDE10) | ||||
| Synonyms | cAMP and cAMPinhibited cGMP 3',5'cyclic phosphodiesterase 10A; cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PDE10A | ||||
| Biochemical Class | Phosphoric diester hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Papaverine | Ligand Info | |||||
| Structure Description | Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals | PDB:2WEY | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [1] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEE
|
|||||
|
|
||||||
| Ligand Name: Adenosine monophosphate | Ligand Info | |||||
| Structure Description | crystal structure of PDE10A2 in complex with AMP | PDB:2OUN | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [2] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEE
|
|||||
|
|
||||||
| Ligand Name: PF-02545920 | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline | PDB:5SJX | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [3] |
| PDB Sequence |
QGLMQFTLPV
466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PF9 or .PF92 or .PF93 or :3PF9;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Dextofisopam | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine | PDB:5SII | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [4] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JPU or .JPU2 or .JPU3 or :3JPU;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:711 or .A:713 or .A:725 or .A:726 or .A:729 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: TAK-063 | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(1H-pyrazol-1-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | PDB:3WYM | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [5] |
| PDB Sequence |
EWQGLMQFTL
454 PVRLCKEIEL464 FHFDIGPFEN474 MWPGIFVYMV484 HRSCGTSCFE494 LEKLCRFIMS 504 VKKNYRRVPY514 HNWKHAVTVA524 HCMYAILQNN534 HTLFTDLERK544 GLLIACLCHD 554 LDHRGFSNSY564 LQKFDHPLAA574 LYSTSTMEQH584 HFSQTVSILQ594 LEGHNIFSTL 604 SSSEYEQVLE614 IIRKAIIATD624 LALYFGNRKQ634 LEEMYQTGSL644 NLNNQSHRDR 654 VIGLMMTACD664 LCSVTKLWPV674 TKLTANDIYA684 EFWAEGDEMK694 KLGIQPIPMM 704 DRDKKDEVPQ714 GQLGFYNAVA724 IPCYTTLTQI734 LPPTEPLLKA744 CRDNLSQWEK 754 VIRGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3K9 or .3K92 or .3K93 or :33K9;style chemicals stick;color identity;select .A:514 or .A:515 or .A:624 or .A:625 or .A:626 or .A:629 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:703 or .A:715 or .A:716 or .A:719; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-nitroindazole | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT448 | PDB:4LM0 | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5NI or .5NI2 or .5NI3 or :35NI;style chemicals stick;color identity;select .A:635 or .A:675 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: S,S-(2-Hydroxyethyl)Thiocysteine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3-carboxamide, space group I23 | PDB:5SI1 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [7] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 ETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CME or .CME2 or .CME3 or :3CME;style chemicals stick;color identity;select .A:462 or .A:487 or .A:488 or .A:491 or .A:504 or .A:505 or .A:506 or .A:507 or .A:508 or .A:510 or .A:511 or .A:512 or .A:513; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [3H]cAMP | Ligand Info | |||||
| Structure Description | crystal structure of PDE10A2 mutant D674A in complex with cAMP | PDB:2OUR | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | Yes | [2] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACALC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CMP or .CMP2 or .CMP3 or :3CMP;style chemicals stick;color identity;select .A:524 or .A:525 or .A:633 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cyclic Guanosine Monophosphate | Ligand Info | |||||
| Structure Description | crystal structure of PDE10A2 mutant D674A in complex with cGMP | PDB:2OUU | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | Yes | [2] |
| PDB Sequence |
SHMSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACAL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATW
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .35G or .35G2 or .35G3 or :335G;style chemicals stick;color identity;select .A:446 or .A:448 or .A:450 or .A:451 or .A:452 or .A:453 or .A:524 or .A:525 or .A:605 or .A:606 or .A:633 or .A:635 or .A:674 or .A:675 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER446
4.778
MET448
4.842
ILE450
3.354
CYS451
4.343
THR452
3.581
SER453
2.893
TYR524
3.670
HIS525
2.845
LEU605
4.412
GLU606
4.599
THR633
4.675
|
|||||
| Ligand Name: Guanosine-5'-Monophosphate | Ligand Info | |||||
| Structure Description | crystal structure of PDE10A2 in complex with GMP | PDB:2OUQ | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5GP or .5GP2 or .5GP3 or :35GP;style chemicals stick;color identity;select .A:524 or .A:525 or .A:529 or .A:563 or .A:564 or .A:567 or .A:633 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Chloro-2-cyclopropyl-5-methylpyrimidin-4-amine | Ligand Info | |||||
| Structure Description | PDE10 complexed with 6-chloro-2-cyclopropyl-5-methyl-pyrimidin-4-amine | PDB:5C28 | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [8] |
| PDB Sequence |
HMSICTSEEW
446 QGLMQFTLPV456 RLCKEIELFH466 FDIGPFENMW476 PGIFVYMVHR486 SCGTSCFELE 496 KLCRFIMSVK506 KNYRRVPYHN516 WKHAVTVAHC526 MYAILQNNHT536 LFTDLERKGL 546 LIACLCHDLD556 HRGFSNSYLQ566 KFDHPLAALY576 STSTMEQHHF586 SQTVSILQLE 596 GHNIFSTLSS606 SEYEQVLEII616 RKAIIATDLA626 LYFGNRKQLE636 EMYQTGSLNL 646 NNQSHRDRVI656 GLMMTACDLC666 SVTKLWPVTK676 LTANDIYAEF686 WAEGDEMKKL 696 GIQPIPMMDR706 DKKDEVPQGQ716 LGFYNAVAIP726 CYTTLTQILP736 PTEPLLKACR 746 DNLSQWEKVI756 RGEET
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4XV or .4XV2 or .4XV3 or :34XV;style chemicals stick;color identity;select .A:514 or .A:625 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:703 or .A:715 or .A:716 or .A:719 or .A:720; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4,6-Dichloro-2-cyclopropyl-5-methylpyrimidine | Ligand Info | |||||
| Structure Description | PDE10 complexed with 4,6-dichloro-2-cyclopropyl-5-methyl-pyrimidine | PDB:5C1W | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [8] |
| PDB Sequence |
HMSICTSEEW
446 QGLMQFTLPV456 RLCKEIELFH466 FDIGPFENMW476 PGIFVYMVHR486 SCGTSCFELE 496 KLCRFIMSVK506 KNYRRVPYHN516 WKHAVTVAHC526 MYAILQNNHT536 LFTDLERKGL 546 LIACLCHDLD556 HRGFSNSYLQ566 KFDHPLAALY576 STSTMEQHHF586 SQTVSILQLE 596 GHNIFSTLSS606 SEYEQVLEII616 RKAIIATDLA626 LYFGNRKQLE636 EMYQTGSLNL 646 NNQSHRDRVI656 GLMMTACDLC666 SVTKLWPVTK676 LTANDIYAEF686 WAEGDEMKKL 696 GIQPIPMMDR706 DKKDEVPQGQ716 LGFYNAVAIP726 CYTTLTQILP736 PTEPLLKACR 746 DNLSQWEKVI756 RGEET
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4XS or .4XS2 or .4XS3 or :34XS;style chemicals stick;color identity;select .A:514 or .A:625 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:703 or .A:715 or .A:716 or .A:719 or .A:720; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Chloro-2-Cyclopropyl-N-[(2,4-Dimethyl-1,3-Thiazol-5-Yl)methyl]-5-Methylpyrimidin-4-Amine | Ligand Info | |||||
| Structure Description | PDE10 complexed with 6-chloro-2-cyclopropyl-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-pyrimidin-4-amine | PDB:5C2A | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [8] |
| PDB Sequence |
HMSICTSEEW
446 QGLMQFTLPV456 RLCKEIELFH466 FDIGPFENMW476 PGIFVYMVHR486 SCGTSCFELE 496 KLCRFIMSVK506 KNYRRVPYHN516 WKHAVTVAHC526 MYAILQNNHT536 LFTDLERKGL 546 LIACLCHDLD556 HRGFSNSYLQ566 KFDHPLAALY576 STSTMEQHHF586 SQTVSILQLE 596 GHNIFSTLSS606 SEYEQVLEII616 RKAIIATDLA626 LYFGNRKQLE636 EMYQTGSLNL 646 NNQSHRDRVI656 GLMMTACDLC666 SVTKLWPVTK676 LTANDIYAEF686 WAEGDEMKKL 696 GIQPIPMMDR706 DKKDEVPQGQ716 LGFYNAVAIP726 CYTTLTQILP736 PTEPLLKACR 746 DNLSQWEKVI756 RGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4Y2 or .4Y22 or .4Y23 or :34Y2;style chemicals stick;color identity;select .A:514 or .A:515 or .A:625 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:685 or .A:686 or .A:703 or .A:715 or .A:716 or .A:719 or .A:720; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Chloro-2-Cyclopropyl-5-Methyl-N-Propylpyrimidin-4-Amine | Ligand Info | |||||
| Structure Description | PDE10 complexed with 6-chloro-2-cyclopropyl-5-methyl-N-propyl-pyrimidin-4-amine | PDB:5C29 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [8] |
| PDB Sequence |
LPVRLCKEIE
463 LFHFDIGPFE473 NMWPGIFVYM483 VHRSCGTSCF493 ELEKLCRFIM503 SVKKNYRRVP 513 YHNWKHAVTV523 AHCMYAILQN533 NHTLFTDLER543 KGLLIACLCH553 DLDHRGFSNS 563 YLQKFDHPLA573 ALYSTSTMEQ583 HHFSQTVSIL593 QLEGHNIFST603 LSSSEYEQVL 613 EIIRKAIIAT623 DLALYFGNRK633 QLEEMYQTGS643 LNLNNQSHRD653 RVIGLMMTAC 663 DLCSVTKLWP673 VTKLTANDIY683 AEFWAEGDEM693 KKLGIQPIPM703 MDRDKKDEVP 713 QGQLGFYNAV723 AIPCYTTLTQ733 ILPPTEPLLK743 ACRDNLSQWE753 KVIRGEE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4XY or .4XY2 or .4XY3 or :34XY;style chemicals stick;color identity;select .A:514 or .A:515 or .A:625 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:703 or .A:715 or .A:716 or .A:719 or .A:720; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(1-Hydroxy-2-Methylpropan-2-Yl)-5-Phenyl-3,5-Dihydro-1h-Imidazo[4,5-C][1,8]naphthyridine-2,4-Dione | Ligand Info | |||||
| Structure Description | PDE10 complexed with 6-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]-5-methyl-2-[3-(2-quinolyl)propoxy]pyrimidin-4-amine | PDB:5C2H | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [8] |
| PDB Sequence |
QFTLPVRLCK
460 EIELFHFDIG470 PFENMWPGIF480 VYMVHRSCGT490 SCFELEKLCR500 FIMSVKKNYR 510 RVPYHNWKHA520 VTVAHCMYAI530 LQNNHTLFTD540 LERKGLLIAC550 LCHDLDHRGF 560 SNSYLQKFDH570 PLAALYSTST580 MEQHHFSQTV590 SILQLEGHNI600 FSTLSSSEYE 610 QVLEIIRKAI620 IATDLALYFG630 NRKQLEEMYQ640 TGSLNLNNQS650 HRDRVIGLMM 660 TACDLCSVTK670 LWPVTKLTAN680 DIYAEFWAEG690 DEMKKLGIQP700 IPMMDRDKKD 710 EVPQGQLGFY720 NAVAIPCYTT730 LTQILPPTEP740 LLKACRDNLS750 QWEKVIRG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4PX or .4PX2 or .4PX3 or :34PX;style chemicals stick;color identity;select .A:514 or .A:515 or .A:623 or .A:625 or .A:664 or .A:665 or .A:667 or .A:668 or .A:675 or .A:678 or .A:679 or .A:682 or .A:683 or .A:686 or .A:703 or .A:716 or .A:719; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone | Ligand Info | |||||
| Structure Description | Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor | PDB:4MVH | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [9] |
| PDB Sequence |
TLPVRLCKEI
462 ELFHFDIGPF472 ENMWPGIFVY482 MVHRSCGTSC492 FELEKLCRFI502 MSVKKNYRRV 512 PYHNWKHAVT522 VAHCMYAILQ532 NNHTLFTDLE542 RKGLLIACLC552 HDLDHRGFSN 562 SYLQKFDHPL572 AALYSTSTME582 QHHFSQTVSI592 LQLEGHNIFS602 TLSSSEYEQV 612 LEIIRKAIIA622 TDLALYFGNR632 KQLEEMYQTG642 SLNLNNQSHR652 DRVIGLMMTA 662 CDLCSVTKLW672 PVTKLTANDI682 YAEFWAEGDE692 MKKLGIQPIP702 MMDRDKKDEV 712 PQGQLGFYNA722 VAIPCYTTLT732 QILPPTEPLL742 KACRDNLSQW752 EKVIRGE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2F5 or .2F52 or .2F53 or :32F5;style chemicals stick;color identity;select .A:514 or .A:515 or .A:625 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1h-Benzimidazol-2-Yl(4-{[3-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]oxy}phenyl)methanone | Ligand Info | |||||
| Structure Description | Crystal Structure of PDE10A with 1H-benzimidazol-2-yl(4-((3-(tetrahydro-2H-pyran-4-yl)-2-pyridinyl)oxy)phenyl)methanone | PDB:4PHW | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [10] |
| PDB Sequence |
LPVRLCKEIE
463 LFHFDIGPFE473 NMWPGIFVYM483 VHRSCGTSCF493 ELEKLCRFIM503 SVKKNYRRVP 513 YHNWKHAVTV523 AHCMYAILQN533 NHTLFTDLER543 KGLLIACLCH553 DLDHRGFSNS 563 YLQKFDHPLA573 ALYSTSTMEQ583 HHFSQTVSIL593 QLEGHNIFST603 LSSSEYEQVL 613 EIIRKAIIAT623 DLALYFGNRK633 QLEEMYQTGS643 LNLNNQSHRD653 RVIGLMMTAC 663 DLCSVTKLWP673 VTKLTANDIY683 AEFWAEGDEM693 KKLGIQPIPM703 MDRDKKDEVP 713 QGQLGFYNAV723 AIPCYTTLTQ733 ILPPTEPLLK743 ACRDNLSQWE753 KVIRG |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2W1 or .2W12 or .2W13 or :32W1;style chemicals stick;color identity;select .A:514 or .A:515 or .A:625 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-{4-[(6,7-Difluoro-1h-Benzimidazol-2-Yl)amino]phenoxy}-N-Methyl-3,4'-Bipyridin-2'-Amine | Ligand Info | |||||
| Structure Description | Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor | PDB:4MUW | ||||
| Method | X-ray diffraction | Resolution | 2.64 Å | Mutation | No | [9] |
| PDB Sequence |
TSEEWQGLMQ
451 FTLPVRLCKE461 IELFHFDIGP471 FENMWPGIFV481 YMVHRSCGTS491 CFELEKLCRF 501 IMSVKKNYRR511 VPYHNWKHAV521 TVAHCMYAIL531 QNNHTLFTDL541 ERKGLLIACL 551 CHDLDHRGFS561 NSYLQKFDHP571 LAALYSTSTM581 EQHHFSQTVS591 ILQLEGHNIF 601 STLSSSEYEQ611 VLEIIRKAII621 ATDLALYFGN631 RKQLEEMYQT641 GSLNLNNQSH 651 RDRVIGLMMT661 ACDLCSVTKL671 WPVTKLTAND681 IYAEFWAEGD691 EMKKLGIQPI 701 PMMDRDKKDE711 VPQGQLGFYN721 AVAIPCYTTL731 TQILPPTEPL741 LKACRDNLSQ 751 WEKVIRGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2F4 or .2F42 or .2F43 or :32F4;style chemicals stick;color identity;select .A:514 or .A:515 or .A:625 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[4-(3-{[1-(Quinolin-2-Yl)azetidin-3-Yl]oxy}quinoxalin-2-Yl)piperidin-1-Yl]ethanone | Ligand Info | |||||
| Structure Description | 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors | PDB:4TPP | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [11] |
| PDB Sequence |
TLPVRLCKEI
462 ELFHFDIGPF472 ENMWPGIFVY482 MVHRSCGTSC492 FELEKLCRFI502 MSVKKNYRRV 512 PYHNWKHAVT522 VAHCMYAILQ532 NNHTLFTDLE542 RKGLLIACLC552 HDLDHRGFSN 562 SYLQKFDHPL572 AALYSTSTME582 QHHFSQTVSI592 LQLEGHNIFS602 TLSSSEYEQV 612 LEIIRKAIIA622 TDLALYFGNR632 KQLEEMYQTG642 SLNLNNQSHR652 DRVIGLMMTA 662 CDLCSVTKLW672 PVTKLTANDI682 YAEFWAEGDE692 MKKLGIQPIP702 MMDRDKKDEV 712 PQGQLGFYNA722 VAIPCYTTLT732 QILPPTEPLL742 KACRDNLSQW752 EKVIR |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .35D or .35D2 or .35D3 or :335D;style chemicals stick;color identity;select .A:514 or .A:625 or .A:626 or .A:629 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [1-(3-{[1-(Quinolin-2-Yl)azetidin-3-Yl]oxy}pyrazin-2-Yl)piperidin-4-Yl]methanol | Ligand Info | |||||
| Structure Description | Crystal structure of 2-(3-alkoxy-1-azetidinyl) quinolines as PDE10A Inhibitors | PDB:4TPM | ||||
| Method | X-ray diffraction | Resolution | 2.77 Å | Mutation | No | [11] |
| PDB Sequence |
LPVRLCKEIE
463 LFHFDIGPFE473 NMWPGIFVYM483 VHRSCGTSCF493 ELEKLCRFIM503 SVKKNYRRVP 513 YHNWKHAVTV523 AHCMYAILQN533 NHTLFTDLER543 KGLLIACLCH553 DLDHRGFSNS 563 YLQKFDHPLA573 ALYSTSTMEQ583 HHFSQTVSIL593 QLEGHNIFST603 LSSSEYEQVL 613 EIIRKAIIAT623 DLALYFGNRK633 QLEEMYQTGS643 LNLNNQSHRD653 RVIGLMMTAC 663 DLCSVTKLWP673 VTKLTANDIY683 AEFWAEGDEM693 KKLGIQPIPM703 MDRDKKDEVP 713 QGQLGFYNAV723 AIPCYTTLTQ733 ILPPTEPLLK743 ACRDNLSQWE753 KVI |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .35E or .35E2 or .35E3 or :335E;style chemicals stick;color identity;select .A:514 or .A:625 or .A:665 or .A:667 or .A:668 or .A:675 or .A:676 or .A:678 or .A:679 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719 or .A:720 or .A:752; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR514
3.520
LEU625
3.866
LEU665
3.455
SER667
3.561
VAL668
3.961
THR675
2.766
LYS676
4.878
THR678
4.392
ALA679
3.637
ILE682
3.532
TYR683
2.707
|
|||||
| Ligand Name: 4-Hydroxyquinazoline | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT902 | PDB:4LM4 | ||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JPZ or .JPZ2 or .JPZ3 or :3JPZ;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:696 or .A:713 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1,4-Benzodioxan-6-yl methyl ketone | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT464 | PDB:4LM3 | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775 S
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9ZE or .9ZE2 or .9ZE3 or :39ZE;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3-Dihydro-1,4-benzodioxin-6-ylmethanol | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT462 | PDB:4LM2 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8ZE or .8ZE2 or .8ZE3 or :38ZE;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Methyl-4(3H)-quinazolinone | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT217 | PDB:4LLK | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MEW or .MEW2 or .MEW3 or :3MEW;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2h-Isoindole-1,3-Diamine | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT214 | PDB:4LLJ | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [6] |
| PDB Sequence |
GTSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEETATWI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1XN or .1XN2 or .1XN3 or :31XN;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Amino-4-methyl-3-nitropyridine | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT0429 (4-methyl-3-nitropyridin-2-amine) | PDB:4MRZ | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2ZV or .2ZV2 or .2ZV3 or :32ZV;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Nitroquinoline | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT450 | PDB:4LM1 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775 SS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7ZE or .7ZE2 or .7ZE3 or :37ZE;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Amino-6-mercaptopyrazolo[3,4-d]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT017 | PDB:4LKQ | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1XM or .1XM2 or .1XM3 or :31XM;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Nitrobenzimidazole | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT0449 (5-nitro-1H-benzimidazole) | PDB:4MSA | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2ZM or .2ZM2 or .2ZM3 or :32ZM;style chemicals stick;color identity;select .A:469 or .A:492 or .A:495 or .A:496 or .A:524 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Amino-4,6-dimethylpyrimidine | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT434 | PDB:4LLX | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5ZE or .5ZE2 or .5ZE3 or :35ZE;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Amino-2-methylphenol | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT401 | PDB:4LLP | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4ZE or .4ZE2 or .4ZE3 or :34ZE;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Chloro-2,6-diaminopyrimidine | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT0443 (6-chloropyrimidine-2,4-diamine) | PDB:4MS0 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2ZX or .2ZX2 or .2ZX3 or :32ZX;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline | Ligand Info | |||||
| Structure Description | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | PDB:3SN7 | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [12] |
| PDB Sequence |
MSICTSEEWQ
447 GLMQFTLPVR457 LCKEIELFHF467 DIGPFENMWP477 GIFVYMVHRS487 CGTSCFELEK 497 LCRFIMSVKK507 NYRRVPYHNW517 KHAVTVAHCM527 YAILQNNHTL537 FTDLERKGLL 547 IACLCHDLDH557 RGFSNSYLQK567 FDHPLAALYS577 TSTMEQHHFS587 QTVSILQLEG 597 HNIFSTLSSS607 EYEQVLEIIR617 KAIIATDLAL627 YFGNRKQLEE637 MYQTGSLNLN 647 NQSHRDRVIG657 LMMTACDLCS667 VTKLWPVTKL677 TANDIYAEFW687 AEGDEMKKLG 697 IQPIPMMDRD707 KKDEVPQGQL717 GFYNAVAIPC727 YTTLTQILPP737 TEPLLKACRD 747 NLSQWEKVIR757 GE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .540 or .5402 or .5403 or :3540;style chemicals stick;color identity;select .A:514 or .A:515 or .A:623 or .A:625 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:703 or .A:715 or .A:716 or .A:719 or .A:720; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Methoxy-6,7-Dimethyl-9-(4-Methylpyridin-3-Yl)imidazo[1,5-A]pyrido[3,2-E]pyrazine | Ligand Info | |||||
| Structure Description | Highly Potent, Selective, and Orally Active Phosphodiestarase 10A Inhibitors | PDB:3SNI | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [12] |
| PDB Sequence |
MSICTSEEWQ
447 GLMQFTLPVR457 LCKEIELFHF467 DIGPFENMWP477 GIFVYMVHRS487 CGTSCFELEK 497 LCRFIMSVKK507 NYRRVPYHNW517 KHAVTVAHCM527 YAILQNNHTL537 FTDLERKGLL 547 IACLCHDLDH557 RGFSNSYLQK567 FDHPLAALYS577 TSTMEQHHFS587 QTVSILQLEG 597 HNIFSTLSSS607 EYEQVLEIIR617 KAIIATDLAL627 YFGNRKQLEE637 MYQTGSLNLN 647 NQSHRDRVIG657 LMMTACDLCS667 VTKLWPVTKL677 TANDIYAEFW687 AEGDEMKKLG 697 IQPIPMMDRD707 KKDEVPQGQL717 GFYNAVAIPC727 YTTLTQILPP737 TEPLLKACRD 747 NLSQWEKVIR757 GE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .546 or .5462 or .5463 or :3546;style chemicals stick;color identity;select .A:514 or .A:515 or .A:625 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:703 or .A:716 or .A:719 or .A:720; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-Chloro-4-hydroxyquinoline | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT0120 (7-chloroquinolin-4-ol) | PDB:4MRW | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MRW or .MRW2 or .MRW3 or :3MRW;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(1-Methyl-1h-Pyrazol-4-Yl)methyl]-5-{[(1s,2s)-2-(Pyridin-2-Yl)cyclopropyl]methoxy}pyrazolo[1,5-A]pyrimidin-7-Amine | Ligand Info | |||||
| Structure Description | PDE10 complexed with N-[(1-methylpyrazol-4-yl)methyl]-5-[[(1S,2S)-2-(2-pyridyl)cyclopropyl]methoxy]pyrazolo[1,5-a]pyrimidin-7-amine | PDB:5DH5 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [13] |
| PDB Sequence |
GLMQFTLPVR
457 LCKEIELFHF467 DIGPFENMWP477 GIFVYMVHRS487 CGTSCFELEK497 LCRFIMSVKK 507 NYRRVPYHNW517 KHAVTVAHCM527 YAILQNNHTL537 FTDLERKGLL547 IACLCHDLDH 557 RGFSNSYLQK567 FDHPLAALYS577 TSTMEQHHFS587 QTVSILQLEG597 HNIFSTLSSS 607 EYEQVLEIIR617 KAIIATDLAL627 YFGNRKQLEE637 MYQTGSLNLN647 NQSHRDRVIG 657 LMMTACDLCS667 VTKLWPVTKL677 TANDIYAEFW687 AEGDEMKKLG697 IQPIPMMDRD 707 KKDEVPQGQL717 GFYNAVAIPC727 YTTLTQILPP737 TEPLLKACRD747 NLSQWEKVIR 757 GEETWISSPS769 V
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5AY or .5AY2 or .5AY3 or :35AY;style chemicals stick;color identity;select .A:514 or .A:515 or .A:625 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:685 or .A:686 or .A:702 or .A:703 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(2-Chlorophenyl)-6,8-Dimethoxy-3-Methylimidazo[5,1-C][1,2,4]benzotriazine | Ligand Info | |||||
| Structure Description | Potent and Selective Phosphodiesterase 10A Inhibitors | PDB:4FCD | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [14] |
| PDB Sequence |
MSICTSEEWQ
447 GLMQFTLPVR457 LCKEIELFHF467 DIGPFENMWP477 GIFVYMVHRS487 CGTSCFELEK 497 LCRFIMSVKK507 NYRRVPYHNW517 KHAVTVAHCM527 YAILQNNHTL537 FTDLERKGLL 547 IACLCHDLDH557 RGFSNSYLQK567 FDHPLAALYS577 TSTMEQHHFS587 QTVSILQLEG 597 HNIFSTLSSS607 EYEQVLEIIR617 KAIIATDLAL627 YFGNRKQLEE637 MYQTGSLNLN 647 NQSHRDRVIG657 LMMTACDLCS667 VTKLWPVTKL677 TANDIYAEFW687 AEGDEMKKLG 697 IQPIPMMDRD707 KKDEVPQGQL717 GFYNAVAIPC727 YTTLTQILPP737 TEPLLKACRD 747 NLSQWEKVIR757 GE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0T6 or .0T62 or .0T63 or :30T6;style chemicals stick;color identity;select .A:514 or .A:515 or .A:623 or .A:625 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:703 or .A:715 or .A:716 or .A:719; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Methyl-5-(1-Methyl-3-{[4-(1-Methyl-1h-Benzimidazol-4-Yl)phenoxy]methyl}-1h-Pyrazol-4-Yl)pyridin-2(1h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A in complex with ASP9436 | PDB:4XY2 | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [15] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .490 or .4902 or .4903 or :3490;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:688 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3,4-Dimethyl-1-Propyl-7-(Quinolin-2-Ylmethoxy)imidazo[1,5-A]quinoxaline | Ligand Info | |||||
| Structure Description | Potent and Selective Phosphodiesterase 10A Inhibitors | PDB:4FCB | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [14] |
| PDB Sequence |
MSICTSEEWQ
447 GLMQFTLPVR457 LCKEIELFHF467 DIGPFENMWP477 GIFVYMVHRS487 CGTSCFELEK 497 LCRFIMSVKK507 NYRRVPYHNW517 KHAVTVAHCM527 YAILQNNHTL537 FTDLERKGLL 547 IACLCHDLDH557 RGFSNSYLQK567 FDHPLAALYS577 TSTMEQHHFS587 QTVSILQLEG 597 HNIFSTLSSS607 EYEQVLEIIR617 KAIIATDLAL627 YFGNRKQLEE637 MYQTGSLNLN 647 NQSHRDRVIG657 LMMTACDLCS667 VTKLWPVTKL677 TANDIYAEFW687 AEGDEMKKLG 697 IQPIPMMDRD707 KKDEVPQGQL717 GFYNAVAIPC727 YTTLTQILPP737 TEPLLKACRD 747 NLSQWEKVIR757 GE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0T7 or .0T72 or .0T73 or :30T7;style chemicals stick;color identity;select .A:514 or .A:515 or .A:625 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719 or .A:720; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine | Ligand Info | |||||
| Structure Description | PDE10 complexed with 5-chloro-N-[(2,4-dimethylthiazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine | PDB:5DH4 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [13] |
| PDB Sequence |
QFTLPVRLCK
460 EIELFHFDIG470 PFENMWPGIF480 VYMVHRSCGT490 SCFELEKLCR500 FIMSVKKNYR 510 RVPYHNWKHA520 VTVAHCMYAI530 LQNNHTLFTD540 LERKGLLIAC550 LCHDLDHRGF 560 SNSYLQKFDH570 PLAALYSTST580 MEQHHFSQTV590 SILQLEGHNI600 FSTLSSSEYE 610 QVLEIIRKAI620 IATDLALYFG630 NRKQLEEMYQ640 TGSLNLNNQS650 HRDRVIGLMM 660 TACDLCSVTK670 LWPVTKLTAN680 DIYAEFWAEG690 DEMKKLGIQP700 IPMMDRDKKD 710 EVPQGQLGFY720 NAVAIPCYTT730 LTQILPPTEP740 LLKACRDNLS750 QWEKVIR |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5AV or .5AV2 or .5AV3 or :35AV;style chemicals stick;color identity;select .A:514 or .A:515 or .A:625 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:685 or .A:686 or .A:703 or .A:716 or .A:719 or .A:720; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-({[1-Phenyl-2-(Propan-2-Yl)-1h-Benzimidazol-6-Yl]oxy}methyl)quinoline | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A in complex with inhibitor | PDB:3WI2 | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [16] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P98 or .P982 or .P983 or :3P98;style chemicals stick;color identity;select .A:524 or .A:525 or .A:674 or .A:675 or .A:677 or .A:678 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Amino-4-chlorobenzothiazole | Ligand Info | |||||
| Structure Description | Crystal Structure of PDE10A2 with fragment ZT0143 ((2S)-4-chloro-2,3-dihydro-1,3-benzothiazol-2-amine) | PDB:4MSH | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [6] |
| PDB Sequence |
GTSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEETATW
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2D0 or .2D02 or .2D03 or :32D0;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-Nitroquinoline | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline) | PDB:4MSN | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2ZQ or .2ZQ2 or .2ZQ3 or :32ZQ;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A in complex with 7-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine | PDB:5XUJ | ||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [17] |
| PDB Sequence |
MSICTSEEWQ
457 GLMQFTLPVR467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK 507 LCRFIMSVKK517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL 557 IACLCHDLDH567 RGFSNSTSTM591 EQHHFSQTVS601 ILQLEGHNIF611 STLSSSEYEQ 621 VLEIIRKAII631 ATDLALYFGN641 RKQLEEMYQT651 GSLNLNNQSH661 RDRVIGLMMT 671 ACDLCSVTKL681 WPVTKLTAND691 IYAEFWAEGD701 EMKKLGIQPI711 PMMDRDKKDE 721 VPQGQLGFYN731 AVAIPCYTTL741 TQILPPTEPL751 LKACRDNLSQ761 WEKVIRGE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8G6 or .8G62 or .8G63 or :38G6;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | PDB:6KDX | ||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [18] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D6X or .D6X2 or .D6X3 or :3D6X;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:688 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(Quinolin-7-Yloxy)methyl]quinoline | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT1595 (2-[(quinolin-7-yloxy)methyl]quinoline) | PDB:4MSC | ||||
| Method | X-ray diffraction | Resolution | 2.47 Å | Mutation | No | [6] |
| PDB Sequence |
TSICTSEEWQ
457 GLMQFTLPVR467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK 507 LCRFIMSVKK517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL 557 IACLCHDLDH567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG 607 HNIFSTLSSS617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN 657 NQSHRDRVIG667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG 707 IQPIPMMDRD717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD 757 NLSQWEKVIR767 GEETATWI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2ZT or .2ZT2 or .2ZT3 or :32ZT;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-Methyl-6-[2-(5-Methyl-1-Phenyl-1h-Benzimidazol-2-Yl)ethyl]imidazo[1,5-A]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A in complex with a benzimidazole inhibitor | PDB:3WS8 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [19] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X4C or .X4C2 or .X4C3 or :3X4C;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-{[(2-Methyl-1,3-Benzothiazol-5-Yl)oxy]methyl}quinoline | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A2 with fragment ZT1597 (2-({[(2S)-2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl]oxy}methyl)quinoline) | PDB:4MSE | ||||
| Method | X-ray diffraction | Resolution | 2.81 Å | Mutation | No | [6] |
| PDB Sequence |
AGTSICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRGEETATWI775
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2ZU or .2ZU2 or .2ZU3 or :32ZU;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | PDB:6KE0 | ||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [18] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D7C or .D7C2 or .D7C3 or :3D7C;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-[2-(5-Methyl-1-Phenyl-1h-Benzimidazol-2-Yl)ethyl]imidazo[1,5-B]pyridazine | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A in complex with a benzimdazole inhibitor | PDB:3WS9 | ||||
| Method | X-ray diffraction | Resolution | 2.99 Å | Mutation | No | [19] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X4D or .X4D2 or .X4D3 or :3X4D;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Methyl-5-(1-Methyl-3-{[4-(Quinolin-2-Yl)phenoxy]methyl}-1h-Pyrazol-4-Yl)pyridin-2(1h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A in complex with 1-methyl-5-(1-methyl-3-{[4-(quinolin-2-yl)phenoxy]methyl}-1H-pyrazol-4-yl)pyridin-2(1H)-one | PDB:4WN1 | ||||
| Method | X-ray diffraction | Resolution | 3.13 Å | Mutation | No | [20] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3SJ or .3SJ2 or .3SJ3 or :33SJ;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 9-[(1s)-2,2-Difluorocyclopropane-1-Carbonyl]-6-[(4-Methoxyphenyl)methyl]-8,9,10,11-Tetrahydropyrido[4',3':4,5]thieno[3,2-E][1,2,4]triazolo[1,5-C]pyrimidin-5(6h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of human PDE10A in complex with inhibitor 16d | PDB:5UWF | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [21] |
| PDB Sequence |
SMASICTSEE
455 WQGLMQFTLP465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL 505 EKLCRFIMSV515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG 555 LLIACLCHDL565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL 605 EGHNIFSTLS615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN 655 LNNQSHRDRV665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK 705 LGIQPIPMMD715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC 755 RDNLSQWEKV765 IRG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8Q7 or .8Q72 or .8Q73 or :38Q7;style chemicals stick;color identity;select .C:524 or .C:525 or .C:635 or .C:674 or .C:675 or .C:677 or .C:678 or .C:692 or .C:693 or .C:695 or .C:696 or .C:711 or .C:713 or .C:714 or .C:725 or .C:726 or .C:729 or .C:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(2'-Ethoxybiphenyl-4-Yl)-4-Hydroxy-1,6-Naphthyridine-3-Carbonitrile | Ligand Info | |||||
| Structure Description | PDE10A in complex with the inhibitor AZ5 | PDB:4AEL | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [22] |
| PDB Sequence |
ASICTSEEWQ
457 GLMQFTLPVR467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK 507 LCRFIMSVKK517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL 557 IACLCHDLDH567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG 607 HNIFSTLSSS617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN 657 NQSHRDRVIG667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG 707 IQPIPMMDRD717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD 757 NLSQWEKVIR767
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4HN or .4HN2 or .4HN3 or :34HN;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(morpholine-4-carbonyl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3-carboxamide, space group I23 | PDB:5SI1 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [7] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 ETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JKO or .JKO2 or .JKO3 or :3JKO;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(2-methylpyrrolidine-1-carbonyl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3-carboxamide | PDB:5SIM | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [23] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 ETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JQL or .JQL2 or .JQL3 or :3JQL;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N~4~,1-dimethyl-N~4~-[2-(methylamino)ethyl]-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-N,2-dimethyl-4-N-[2-(methylamino)ethyl]-3-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3,4-dicarboxamide | PDB:5SIS | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [24] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 ETATW
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JSM or .JSM2 or .JSM3 or :3JSM;style chemicals stick;color identity;select .A:524 or .A:525 or .A:633 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N~5~-[(2P,4S)-2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,4-N,2-trimethylpyrazole-3,4-dicarboxamide | PDB:5SFE | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [25] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WP3 or .WP32 or .WP33 or :3WP3;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-phenyl-3-(1-phenyl-1H-pyrazol-5-yl)-5,6-dihydropyridazin-4(1H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-phenyl-6-(2-phenylpyrazol-3-yl)-3,4-dihydropyridazin-5-one | PDB:5SGW | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [26] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IZ6 or .IZ62 or .IZ63 or :3IZ6;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-[(3-methylphenyl)sulfanyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-(3-methylphenyl)sulfanyl-2-(4-pyridin-2-ylpiperazin-1-yl)-9H-purine | PDB:5SIH | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [27] |
| PDB Sequence |
QGLMQFTLPV
466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JPF or .JPF2 or .JPF3 or :3JPF;style chemicals stick;color identity;select .A:635 or .A:677 or .A:678 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-{3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-4-oxopyridazin-1(4H)-yl}phenyl)acetamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]acetamide | PDB:5SKN | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [28] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KHU or .KHU2 or .KHU3 or :3KHU;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:732 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N~4~-cyclopropyl-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-N-cyclopropyl-2-methyl-3-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3,4-dicarboxamide | PDB:5SHO | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [29] |
| PDB Sequence |
QGLMQFTLPV
466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JIC or .JIC2 or .JIC3 or :3JIC;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-chloro-N,N-dimethyl-2-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinazolin-4-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-chloro-N,N-dimethyl-2-[2-(1-pyridin-2-ylpyrrolidin-3-yl)ethyl]quinazolin-4-amine | PDB:5SKM | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | No | [30] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KHI or .KHI2 or .KHI3 or :3KHI;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,8-dimethyl-2-[2-[2-methyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-[2-methyl-5-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | PDB:5SGX | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [31] |
| PDB Sequence |
> Chain A
GLMQFTLPVR 467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE> Chain B QGLMQFTLPV 466 RLKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EET
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IZH or .IZH2 or .IZH3 or :3IZH;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:724 or .A:725 or .A:726 or .A:729 or .B:635 or .B:675 or .B:677 or .B:678 or .B:692 or .B:693 or .B:696 or .B:712 or .B:713 or .B:718 or .B:721 or .B:722 or .B:724 or .B:725 or .B:726 or .B:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU635[A]
4.037
LEU675[A]
3.725
SER677[A]
4.179
VAL678[A]
3.793
ILE692[A]
3.651
TYR693[A]
2.616
PHE696[A]
3.642
PRO712[A]
3.562
MET713[A]
3.633
LYS718[A]
3.636
GLU721[A]
3.129
VAL722[A]
3.877
GLN724[A]
4.110
GLY725[A]
3.273
GLN726[A]
3.006
PHE729[A]
3.338
|
|||||
| Ligand Name: 5-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline | PDB:5SJV | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [32] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K9F or .K9F2 or .K9F3 or :3K9F;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: US10399985, Example 32 | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2,3-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine | PDB:5SE9 | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ID9 or .ID92 or .ID93 or :3ID9;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(6-Fluoropyridin-2-yl)piperidin-4-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-(6-fluoropyridin-2-yl)piperidin-4-one | PDB:5SHV | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [34] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JKX or .JKX2 or .JKX3 or :3JKX;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,9-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-9H-purine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2,9-dimethyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]purine | PDB:5SE6 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IEB or .IEB2 or .IEB3 or :3IEB;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[1-(3-bromophenyl)-1H-pyrazol-5-yl]-1-(pyridin-4-yl)pyridazin-4(1H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(3-bromophenyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one | PDB:5SHB | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [35] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JCJ or .JCJ2 or .JCJ3 or :3JCJ;style chemicals stick;color identity;select .A:524 or .A:525 or .A:633 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-chloro-1-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-6-yl)-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-chloro-2-(2-methylpropyl)-N-(2-phenyl-1H-benzimidazol-5-yl)pyrazole-3-carboxamide | PDB:5SJW | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [36] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K9O or .K9O2 or .K9O3 or :3K9O;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N~4~-(2-methoxyethyl)-N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-N-(2-methoxyethyl)-4-N,2-dimethyl-3-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3,4-dicarboxamide | PDB:5SGP | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [37] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IYD or .IYD2 or .IYD3 or :3IYD;style chemicals stick;color identity;select .A:524 or .A:525 or .A:633 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,8-Dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | PDB:5SG6 | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [38] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IVT or .IVT2 or .IVT3 or :3IVT;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(2-(2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl)-1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)ethyl]-1-methylimidazol-4-yl]pyrrolidin-2-one | PDB:5SJG | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [39] |
| PDB Sequence |
> Chain A
LMQFTLPVRL 468 KEIELFHFDI479 GPFENMWPGI489 FVYMVHRSCG499 TSCFELEKLR510 FIMSVKKNYR 520 RVPYHNWKHA530 VTVAHCMYAI540 LQNNHTLFTD550 LERKGLLIAC560 LCHDLDHRGF 570 SNSYLQKFDH580 PLAALYSTST590 MEQHHFSQTV600 SILQLEGHNI610 FSTLSSSEYE 620 QVLEIIRKAI630 IATDLALYFG640 NRKQLEEMYQ650 TGSLNLNNQS660 HRDRVIGLMM 670 TACDLCSVTK680 LWPVTKLTAN690 DIYAEFWAEG700 DEMKKLGIQP710 IPMMDRDKKD 720 EVPQGQLGFY730 NAVAIPCYTT740 LTQILPPTEP750 LLKACRDNLS760 QWEKVIRGEE 770 > Chain B QGLMQFTLPV 466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEET
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K2L or .K2L2 or .K2L3 or :3K2L;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .B:635 or .B:675 or .B:677 or .B:678 or .B:692 or .B:693 or .B:696 or .B:712 or .B:713 or .B:718 or .B:721 or .B:722 or .B:725 or .B:726 or .B:729 or .B:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524[A]
4.915
LEU635[A]
4.183
LEU675[A]
3.716
SER677[A]
4.079
VAL678[A]
3.773
ILE692[A]
3.514
TYR693[A]
2.588
PHE696[A]
3.562
PRO712[A]
3.517
MET713[A]
3.563
LYS718[A]
3.518
GLU721[A]
3.633
VAL722[A]
3.987
GLY725[A]
3.486
GLN726[A]
2.984
PHE729[A]
3.391
|
|||||
| Ligand Name: 1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-[1-methyl-6-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[3,4-d]pyrimidin-4-yl]morpholine | PDB:5SGH | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [40] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IX5 or .IX52 or .IX53 or :3IX5;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Ethyl-3-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]quinoxaline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-ethyl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinoxaline | PDB:5SIQ | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [41] |
| PDB Sequence |
QGLMQFTLPV
466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JRX or .JRX2 or .JRX3 or :3JRX;style chemicals stick;color identity;select .A:524 or .A:571 or .A:573 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:699 or .A:711 or .A:713 or .A:714 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-(3-methylphenoxy)-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-(3-methylphenoxy)-2-(4-pyridin-2-ylpiperazin-1-yl)-9H-purine | PDB:5SGI | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [42] |
| PDB Sequence |
QGLMQFTLPV
466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IX9 or .IX92 or .IX93 or :3IX9;style chemicals stick;color identity;select .A:635 or .A:677 or .A:678 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-{(4S)-4-[(piperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide | PDB:5SJU | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [43] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EETATWI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K4U or .K4U2 or .K4U3 or :3K4U;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:730 or .A:732 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-N'-[(4-bromo-3,5-dimethoxyphenyl)methyl]-2-ethoxy-2-[4-(morpholin-4-yl)phenyl]acetohydrazide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylideneamino]-2-ethoxy-2-(4-morpholin-4-ylphenyl)acetamide | PDB:5SG3 | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [44] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IVE or .IVE2 or .IVE3 or :3IVE;style chemicals stick;color identity;select .A:524 or .A:571 or .A:635 or .A:639 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:699 or .A:713 or .A:714 or .A:726 or .A:728 or .A:729 or .A:730 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
3.666
SER571
3.506
LEU635
3.522
PHE639
4.091
ASP674
4.324
LEU675
3.488
CYS676
4.747
SER677
4.163
VAL678
3.707
ILE692
3.524
TYR693
3.764
|
|||||
| Ligand Name: (4S)-2,3-dimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2,3-dimethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine | PDB:5SF5 | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IJH or .IJH2 or .IJH3 or :3IJH;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4S)-N,2,3-trimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine-8-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N,2,3-trimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine-8-carboxamide | PDB:5SFB | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [33] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IK0 or .IK02 or .IK03 or :3IK0;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3-Dimethyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-8-(methyl-sulfonyl)imidazo[1,2-b]pyridazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-methylsulfonylimidazo[1,2-b]pyridazine | PDB:5SH3 | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [45] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J2L or .J2L2 or .J2L3 or :3J2L;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-{[(4-Methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1,5,6,7-tetrahydroimidazo[4,5-f]indole | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-3,5,6,7-tetrahydropyrrolo[3,2-f]benzimidazole | PDB:5SHU | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [46] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JIY or .JIY2 or .JIY3 or :3JIY;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-chloro-1-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-chloro-2-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)pyrazole-3-carboxamide | PDB:5SJI | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [47] |
| PDB Sequence |
QGLMQFTLPV
466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K3F or .K3F2 or .K3F3 or :3K3F;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-[2-(1-methylbenzimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one | PDB:5SH6 | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [48] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J7M or .J7M2 or .J7M3 or :3J7M;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Chloro-2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-benzothiazole | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5-chloro-2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-benzothiazole | PDB:5SID | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [49] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JO6 or .JO62 or .JO63 or :3JO6;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]-N,2-dimethyl-5-phenyl-1,2,4-triazol-3-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]-N,2-dimethyl-5-phenyl-1,2,4-triazol-3-amine | PDB:5SHR | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [50] |
| PDB Sequence |
> Chain A
LMQFTLPVRL 468 KEIELFHFDI479 GPFENMWPGI489 FVYMVHRSCG499 TSCFELEKLR510 FIMSVKKNYR 520 RVPYHNWKHA530 VTVAHCMYAI540 LQNNHTLFTD550 LERKGLLIAC560 LCHDLDHRGF 570 SNSYLQKFDH580 PLAALYSTST590 MEQHHFSQTV600 SILQLEGHNI610 FSTLSSSEYE 620 QVLEIIRKAI630 IATDLALYFG640 NRKQLEEMYQ650 TGSLNLNNQS660 HRDRVIGLMM 670 TACDLCSVTK680 LWPVTKLTAN690 DIYAEFWAEG700 DEMKKLGIQP710 IPMMDRDKKD 720 EVPQGQLGFY730 NAVAIPCYTT740 LTQILPPTEP750 LLKACRDNLS760 QWEKVIRGEE 770 > Chain B QGLMQFTLPV 466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEET
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JIP or .JIP2 or .JIP3 or :3JIP;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733 or .B:524 or .B:635 or .B:639 or .B:675 or .B:677 or .B:678 or .B:692 or .B:693 or .B:696 or .B:713 or .B:725 or .B:726 or .B:728 or .B:729 or .B:732 or .B:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524[A]
4.863
LEU635[A]
4.448
PHE639[A]
4.251
LEU675[A]
3.773
SER677[A]
4.191
VAL678[A]
3.589
ILE692[A]
3.516
TYR693[A]
3.253
PHE696[A]
3.592
MET713[A]
3.183
GLY725[A]
4.707
GLN726[A]
2.868
GLY728[A]
3.777
PHE729[A]
3.411
ALA732[A]
3.363
VAL733[A]
3.955
|
|||||
| Ligand Name: 1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-methyl-N-(2-methyl-5-pyridin-2-ylpyrazol-3-yl)-4-pyridin-4-ylpyrazole-3-carboxamide | PDB:5SKR | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [51] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KII or .KII2 or .KII3 or :3KII;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2,3-dichloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide | PDB:5SJ2 | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [52] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JWR or .JWR2 or .JWR3 or :3JWR;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-chloro-6-ethyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-chloro-6-ethyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide | PDB:5SEZ | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IIU or .IIU2 or .IIU3 or :3IIU;style chemicals stick;color identity;select .A:524 or .A:525 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-2-methyl-N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1,5-dihydropyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide | PDB:5SE8 | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [33] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IE1 or .IE12 or .IE13 or :3IE1;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-methyl-N-(4-methylphenyl)pyrimidin-4-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-methyl-N-(4-methylphenyl)pyrimidin-4-amine | PDB:5SIT | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [53] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JSY or .JSY2 or .JSY3 or :3JSY;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-methyl-6-[(6-methylpyridine-2-carbonyl)amino]-2-phenyl-1H-benzimidazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-methyl-6-[(6-methylpyridine-2-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide | PDB:5SEX | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .II9 or .II92 or .II93 or :3II9;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:674 or .A:675 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-benzyl-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-benzyl-3-(2-phenylpyrazol-3-yl)pyridazin-4-one | PDB:5SGV | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [54] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IYW or .IYW2 or .IYW3 or :3IYW;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-N-(6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl)-2-methylpyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-N-(6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl)-2-methylpyrazole-3-carboxamide | PDB:5SI6 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [55] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JME or .JME2 or .JME3 or :3JME;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-{[4-(2-methoxyphenyl)piperazin-1-yl]carbonyl}-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-phenylthieno[2,3-c]pyrazol-5-yl)methanone | PDB:5SKP | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [56] |
| PDB Sequence |
QGLMQFTLPV
466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KI8 or .KI82 or .KI83 or :3KI8;style chemicals stick;color identity;select .A:524 or .A:635 or .A:636 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-(1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-(2-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SEA | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IF5 or .IF52 or .IF53 or :3IF5;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-methyl-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-methyl-3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | PDB:5SK4 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [57] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KBL or .KBL2 or .KBL3 or :3KBL;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SH8 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [58] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J9C or .J9C2 or .J9C3 or :3J9C;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2-chloropyridin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-(2-chloropyridin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide | PDB:5SFP | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IO4 or .IO42 or .IO43 or :3IO4;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-(6-methylpyridin-2-yl)-5-pyridin-3-yl-1,7-naphthyridin-8-amine | PDB:5SHK | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [59] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JH6 or .JH62 or .JH63 or :3JH6;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-ethyl-6-[(4-fluorophenyl)sulfanyl]-N-methyl-7H-purin-2-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-ethyl-6-(4-fluorophenyl)sulfanyl-N-methyl-9H-purin-2-amine | PDB:5SKQ | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [60] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KIE or .KIE2 or .KIE3 or :3KIE;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-quinoxalin-2-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1H-quinoxalin-2-one | PDB:5SIU | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [61] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JT9 or .JT92 or .JT93 or :3JT9;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,8-dimethyl-2-[2-[2-methyl-5-[(2S)-2-methylpyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-[2-methyl-5-(2-methylpyrrolidin-1-yl)-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | PDB:5SFI | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [33] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IKU or .IKU2 or .IKU3 or :3IKU;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:724 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[2-(2-hydroxyethyl)-5-pyridin-2-ylpyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SE0 | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IBJ or .IBJ2 or .IBJ3 or :3IBJ;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
3.968
LEU635
3.664
LEU675
3.903
SER677
3.337
VAL678
3.702
THR685
3.612
THR688
3.641
ALA689
3.667
ILE692
3.915
TYR693
2.652
|
|||||
| Ligand Name: N~4~-(2-hydroxyethyl)-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-N-(2-hydroxyethyl)-2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3,4-dicarboxamide | PDB:5SI9 | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [62] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JN6 or .JN62 or .JN63 or :3JN6;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:685 or .A:686 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.374
LEU635
3.841
ASP674
4.965
LEU675
3.765
SER677
3.216
VAL678
3.937
THR685
2.637
LYS686
4.682
THR688
4.463
ALA689
3.704
ILE692
3.017
|
|||||
| Ligand Name: 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-carboxamide | PDB:5SFN | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ILS or .ILS2 or .ILS3 or :3ILS;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SF2 | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 ETATW
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IJ7 or .IJ72 or .IJ73 or :3IJ7;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-(Cyclopropylmethoxy)-2-methyl-4-(pyrrolidin-1-yl)quinazoline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 7-(cyclopropylmethoxy)-2-methyl-4-pyrrolidin-1-ylquinazoline:hydrochloride | PDB:5SKT | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [63] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KIY or .KIY2 or .KIY3 or :3KIY;style chemicals stick;color identity;select .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-pyridin-4-ylpyrazole-3-carboxamide | PDB:5SK0 | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [64] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KAU or .KAU2 or .KAU3 or :3KAU;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-chloro-6-(cyclopropylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-chloro-6-(cyclopropylamino)-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide | PDB:5SKG | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [65] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KFI or .KFI2 or .KFI3 or :3KFI;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-methyl-3-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinoxaline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-3-[2-(1-pyridin-2-ylpyrrolidin-3-yl)ethyl]quinoxaline | PDB:5SGS | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [66] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IYN or .IYN2 or .IYN3 or :3IYN;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[2-(1,4-diphenyl-1H-imidazol-2-yl)ethyl]-3-methylquinoxaline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-(1,4-diphenylimidazol-2-yl)ethyl]-3-methylquinoxaline | PDB:5SEC | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IEX or .IEX2 or .IEX3 or :3IEX;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-phenyl-imidazo[1,2-a]pyrimidin-7-yl)-amide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3-carboxamide | PDB:5SIP | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [67] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JRL or .JRL2 or .JRL3 or :3JRL;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Isopropyl-6,7-dimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)imidazo[1,2-f][1,2,4]triazin-4-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6,7-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-N-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine | PDB:5SF6 | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IJK or .IJK2 or .IJK3 or :3IJK;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-[(4-methoxyphenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea | PDB:5SIG | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [68] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JP0 or .JP02 or .JP03 or :3JP0;style chemicals stick;color identity;select .A:639 or .A:677 or .A:678 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Pyrazolo(1,5-a)pyrimidin-7-amine, 5-((3R)-3-fluoro-1-pyrrolidinyl)-N-methyl-2-(3-methyl-2-quinoxalinyl)-N-(tetrahydro-2H-pyran-4-yl)- | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5-[(3R)-3-fluoropyrrolidin-1-yl]-N-methyl-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine | PDB:5SIY | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [69] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JUC or .JUC2 or .JUC3 or :3JUC;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:724 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.129
LEU635
4.523
PHE639
4.262
LEU675
3.964
SER677
3.343
VAL678
3.852
ILE692
3.135
TYR693
2.598
PHE696
4.025
PRO712
3.426
MET713
3.394
|
|||||
| Ligand Name: 2-chloro-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]quinoxaline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-chloro-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline | PDB:5SGR | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [70] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IYK or .IYK2 or .IYK3 or :3IYK;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-1-methyl-N-[1-(quinolin-2-yl)-1H-imidazol-4-yl]-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(1-quinolin-2-ylimidazol-4-yl)pyrazole-3-carboxamide | PDB:5SEN | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IG9 or .IG92 or .IG93 or :3IG9;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-N-ethyl-3-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,2-dimethylpyrazole-3,4-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-N-ethyl-3-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,2-dimethylpyrazole-3,4-dicarboxamide | PDB:5SFR | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IOI or .IOI2 or .IOI3 or :3IOI;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyrazine-2-carboxylic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid | PDB:5SGQ | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [71] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IYH or .IYH2 or .IYH3 or :3IYH;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2-acetamido-1,3-benzothiazol-5-yl)-4-(azetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-(2-acetamido-1,3-benzothiazol-5-yl)-4-(azetidine-1-carbonyl)-2-methylpyrazole-3-carboxamide | PDB:5SFX | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IQJ or .IQJ2 or .IQJ3 or :3IQJ;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4S)-5,8-dimethyl-2-{2-[1-methyl-3-(piperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-(2-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | PDB:5SFD | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [33] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IKB or .IKB2 or .IKB3 or :3IKB;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(2-Quinolin-4-yl-2H-pyrazol-3-yl)-1-(3-trifluoromethoxy-phenyl)-1H-pyridazin-4-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-(2-quinolin-4-ylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | PDB:5SJF | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [72] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K1X or .K1X2 or .K1X3 or :3K1X;style chemicals stick;color identity;select .A:524 or .A:525 or .A:633 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6,8-dichloro-2-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6,8-dichloro-2-[2-(6,7-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyridine | PDB:5SJN | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [73] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K7O or .K7O2 or .K7O3 or :3K7O;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(1-phenyl-1H-pyrazol-5-yl)-1,3-dihydro-2H-imidazol-2-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)imidazolidin-2-one | PDB:5SG0 | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [74] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IV4 or .IV42 or .IV43 or :3IV4;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[2-[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-[5-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine | PDB:5SH9 | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [75] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JAP or .JAP2 or .JAP3 or :3JAP;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:724 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3-Dimethyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-7-(trifluoro-methyl)imidazo[1,2-b]pyridazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)imidazo[1,2-b]pyridazine | PDB:5SGN | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [76] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IY6 or .IY62 or .IY63 or :3IY6;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (10S)-1-(2-chlorophenyl)-8-methoxy-3,4-dimethylimidazo[1,5-a]quinazolin-5(4H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-(2-chlorophenyl)-8-methoxy-3,4-dimethylimidazo[1,5-a]quinazolin-5-one | PDB:5SF7 | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IJN or .IJN2 or .IJN3 or :3IJN;style chemicals stick;color identity;select .A:524 or .A:525 or .A:633 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-chloro-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-chloro-2,5-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3-carboxamide | PDB:5SJC | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [77] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K0R or .K0R2 or .K0R3 or :3K0R;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[(E)-2-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]ethenyl]-[1,2,4]triazolo[1,5-a]pyrazine | PDB:5SFY | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [33] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IQV or .IQV2 or .IQV3 or :3IQV;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide | PDB:5SE5 | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IEH or .IEH2 or .IEH3 or :3IEH;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Pyrrolidino-7-deazapurine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine | PDB:5SHQ | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [78] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JIJ or .JIJ2 or .JIJ3 or :3JIJ;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-6-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine | PDB:5SEU | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IHL or .IHL2 or .IHL3 or :3IHL;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6,7-dihydro-1H-furo[2,3-f]benzimidazole | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[(4-chloro-3,5-dimethylpyridin-2-yl)methylsulfanyl]-6,7-dihydro-3H-furo[3,2-f]benzimidazole | PDB:5SGG | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [79] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IX2 or .IX22 or .IX23 or :3IX2;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-2-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-3-carboxamide | PDB:5SGC | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [80] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IWK or .IWK2 or .IWK3 or :3IWK;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3,5-Trimethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-a]pyridine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2,3,5-trimethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]imidazo[1,2-a]pyridine | PDB:5SHI | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [81] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JG9 or .JG92 or .JG93 or :3JG9;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-benzyl-6,6-dimethyl-1H-imidazo[4,5-h]isoquinoline-7,9(6H,8H)-dione | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-benzyl-6,6-dimethyl-1H-imidazo[4,5-h]isoquinoline-7,9-dione | PDB:5SI7 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [82] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JML or .JML2 or .JML3 or :3JML;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:730 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[2-(4-Cyclopentyl-1-methylimidazol-2-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-(4-cyclopentyl-1-methylimidazol-2-yl)ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine | PDB:5SEP | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IGI or .IGI2 or .IGI3 or :3IGI;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)-ethyl]-isoindole-1,3-dione | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethyl]isoindole-1,3-dione | PDB:5SEO | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IGE or .IGE2 or .IGE3 or :3IGE;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[2-(2,2-Difluoro-benzo[1,3]dioxol-4-yl)-2H-pyrazol-3-yl]-1-(3-methanesulfonyl-phenyl)-1H-pyridazin-4-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(2,2-difluoro-1,3-benzodioxol-4-yl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one | PDB:5SJE | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [83] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K1I or .K1I2 or .K1I3 or :3K1I;style chemicals stick;color identity;select .A:524 or .A:525 or .A:633 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:711 or .A:713 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[2-(2,4-Difluoro-phenyl)-2H-pyrazol-3-yl]-1-(3-trifluoromethoxy-phenyl)-1H-pyridazin-4-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(2,4-difluorophenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | PDB:5SJO | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [84] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K79 or .K792 or .K793 or :3K79;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[2-(3-Fluoro-phenyl)-2H-pyrazol-3-yl]-1-(3-trifluoromethoxy-phenyl)-1H-pyridazin-4-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(3-fluorophenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | PDB:5SKH | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [85] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KFO or .KFO2 or .KFO3 or :3KFO;style chemicals stick;color identity;select .A:524 or .A:525 or .A:633 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-{5-[1-(2,2-Difluoro-benzo[1,3]dioxol-4-yl)-4-oxo-1,4-dihydro-pyridazin-3-yl]-pyrazol-1-yl}-benzonitrile | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-[5-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)-4-oxopyridazin-3-yl]pyrazol-1-yl]benzonitrile | PDB:5SKF | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [86] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KF9 or .KF92 or .KF93 or :3KF9;style chemicals stick;color identity;select .A:524 or .A:525 or .A:633 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-1-methyl-N-(2-morpholino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-3-carboxamide | PDB:5SEH | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IFI or .IFI2 or .IFI3 or :3IFI;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-1-methyl-N-[5-(pyridin-2-yl)-1H-pyrazol-3-yl]-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyrazole-3-carboxamide | PDB:5SF0 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IIX or .IIX2 or .IIX3 or :3IIX;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(Cyclopentylmethoxy)pyrimidin-2-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5-(cyclopentylmethoxy)pyrimidin-2-amine | PDB:5SIK | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [87] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JQ3 or .JQ32 or .JQ33 or :3JQ3;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:696 or .A:711 or .A:713 or .A:714 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-3-methoxy-N-{2-[3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl]ethyl}pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-3-methoxy-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide | PDB:5SIZ | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [88] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JWC or .JWC2 or .JWC3 or :3JWC;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-(6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)pyrazole-3-carboxamide | PDB:5SI8 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [89] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JMU or .JMU2 or .JMU3 or :3JMU;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-cyano-2-(2'-ethoxy[1,1'-biphenyl]-4-yl)-6-fluoroquinolin-4-yl]-D-alanine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with (2R)-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoroquinolin-4-yl]amino]propanoic acid | PDB:5SJR | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [90] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K63 or .K632 or .K633 or :3K63;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-{3-[(4R)-imidazo[1,2-a]pyridin-2-yl]phenyl}-1-methyl-3-[(pyrimidin-5-yl)amino]-1H-pyrazole-4-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1-methyl-3-(pyrimidin-5-ylamino)pyrazole-4-carboxamide | PDB:5SKO | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [91] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KI4 or .KI42 or .KI43 or :3KI4;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-N,4-N,2-trimethyl-3-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3,4-dicarboxamide | PDB:5SJT | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [92] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K5F or .K5F2 or .K5F3 or :3K5F;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N~4~-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-N-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | PDB:5SJJ | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [93] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K3O or .K3O2 or .K3O3 or :3K3O;style chemicals stick;color identity;select .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: US10399985, Example 17 | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine | PDB:5SEM | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IG6 or .IG62 or .IG63 or :3IG6;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl](piperidin-1-yl)methanone | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with [1-(4-chlorophenyl)-3-methylthieno[2,3-c]pyrazol-5-yl]-piperidin-1-ylmethanone | PDB:5SJ3 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [94] |
| PDB Sequence |
QGLMQFTLPV
466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JX0 or .JX02 or .JX03 or :3JX0;style chemicals stick;color identity;select .A:524 or .A:635 or .A:636 or .A:639 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-3-carboxamide | PDB:5SES | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IGZ or .IGZ2 or .IGZ3 or :3IGZ;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: US10399985, Example 7 | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-(difluoromethyl)-3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazine | PDB:5SF1 | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IJ0 or .IJ02 or .IJ03 or :3IJ0;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(2-Chlorophenyl)-12-methoxy-5-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-(2-chlorophenyl)-12-methoxy-5-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine | PDB:5SHG | ||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [95] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JFO or .JFO2 or .JFO3 or :3JFO;style chemicals stick;color identity;select .A:524 or .A:525 or .A:633 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3-one | PDB:5SIE | ||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [96] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JOF or .JOF2 or .JOF3 or :3JOF;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Chloro-2,3-dimethylquinoxaline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-chloro-2,3-dimethylquinoxaline | PDB:5SJQ | ||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [97] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K6F or .K6F2 or .K6F3 or :3K6F;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[(E)-2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)ethenyl]quinoline | PDB:5SG9 | ||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | No | [98] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IWC or .IWC2 or .IWC3 or :3IWC;style chemicals stick;color identity;select .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-[(7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]pyrazole-3-carboxamide | PDB:5SGK | ||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | No | [99] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IXL or .IXL2 or .IXL3 or :3IXL;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine | Ligand Info | |||||
| Structure Description | 5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine | PDB:5SIW | ||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | No | [100] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JTX or .JTX2 or .JTX3 or :3JTX;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-{5-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[5-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide | PDB:5SFL | ||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IL9 or .IL92 or .IL93 or :3IL9;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(1-tert-butyl-3-methyl-1H-pyrazol-5-yl)-1-phenyl-3-{[(pyridin-2-yl)oxy]methyl}-1H-thieno[2,3-c]pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-(2-tert-butyl-5-methylpyrazol-3-yl)-1-phenyl-3-(pyridin-2-yloxymethyl)thieno[2,3-c]pyrazole-5-carboxamide | PDB:5SJA | ||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | No | [101] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JYU or .JYU2 or .JYU3 or :3JYU;style chemicals stick;color identity;select .A:524 or .A:571 or .A:573 or .A:635 or .A:636 or .A:639 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:711 or .A:713 or .A:714 or .A:725 or .A:726 or .A:728 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-chloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-4-carboxamide | PDB:5SE3 | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ICK or .ICK2 or .ICK3 or :3ICK;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 12-methoxy-5,7-dimethyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene | PDB:5SGU | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [102] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EETAT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z73 or .Z732 or .Z733 or :3Z73;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-{2-[2-(4-Fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-(4-fluorophenyl)-4-(2-isoquinolin-3-yloxyethyl)-5-methyl-1,3-oxazole | PDB:5SK2 | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [103] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KB6 or .KB62 or .KB63 or :3KB6;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-[({5-methyl-4-[(propan-2-yl)oxy]pyridin-2-yl}methyl)sulfanyl]-8H-imidazo[4,5-g][1,3]benzothiazole | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 7-[(5-methyl-4-propan-2-yloxypyridin-2-yl)methylsulfanyl]-6H-imidazo[4,5-g][1,3]benzothiazole | PDB:5SJ7 | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [104] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JY3 or .JY32 or .JY33 or :3JY3;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-methyl-N~5~-[(4S)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-N~4~-[(1H-pyrazol-3-yl)methyl]-1H-pyrazole-4,5-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(1H-pyrazol-5-ylmethyl)pyrazole-3,4-dicarboxamide | PDB:5SF3 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IJA or .IJA2 or .IJA3 or :3IJA;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:686 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.148
LEU635
3.678
LEU675
3.803
SER677
3.322
VAL678
3.641
THR685
2.823
LYS686
4.984
THR688
3.287
ALA689
3.362
ILE692
3.499
TYR693
2.576
|
|||||
| Ligand Name: 2-methyl-3-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-3-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoxaline | PDB:5SEK | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IFY or .IFY2 or .IFY3 or :3IFY;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-methyl-4-N-(1,3-oxazol-4-ylmethyl)-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3,4-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-N-(1,3-oxazol-4-ylmethyl)-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3,4-dicarboxamide | PDB:5SDV | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [33] |
| PDB Sequence |
MQFTLPVRLC
469 KEIELFHFDI479 GPFENMWPGI489 FVYMVHRSCG499 TSCFELEKLR510 FIMSVKKNYR 520 RVPYHNWKHA530 VTVAHCMYAI540 LQNNHTLFTD550 LERKGLLIAC560 LCHDLDHRGF 570 SNSYLQKFDH580 PLAALYSTST590 MEQHHFSQTV600 SILQLEGHNI610 FSTLSSSEYE 620 QVLEIIRKAI630 IATDLALYFG640 NRKQLEEMYQ650 TGSLNLNNQS660 HRDRVIGLMM 670 TACDLCSVTK680 LWPVTKLTAN690 DIYAEFWAEG700 DEMKKLGIQP710 IPMMDRDKKD 720 EVPQGQLGFY730 NAVAIPCYTT740 LTQILPPTEP750 LLKACRDNLS760 QWEKVIRGEE 770
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IAI or .IAI2 or .IAI3 or :3IAI;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.161
LEU635
3.804
LEU675
3.786
SER677
3.365
VAL678
3.595
THR685
3.025
THR688
3.486
ALA689
3.213
ILE692
3.266
TYR693
2.782
|
|||||
| Ligand Name: 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-methylimidazo[4,5-f]quinolin-2-amine | PDB:5SG2 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [105] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GIQ or .GIQ2 or .GIQ3 or :3GIQ;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(2-Chloroquinazolin-4-yl)morpholine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(2-chloroquinazolin-4-yl)morpholine | PDB:5SJ6 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [106] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JXX or .JXX2 or .JXX3 or :3JXX;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-[2-(5-phenyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-3-carboxamide | PDB:5SF8 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IJQ or .IJQ2 or .IJQ3 or :3IJQ;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.081
HIS525
3.681
LEU635
4.381
LEU675
3.545
SER677
4.174
VAL678
3.816
ILE692
3.366
TYR693
2.704
PHE696
3.686
PRO712
3.697
|
|||||
| Ligand Name: 5-Ethyl-8-methyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-c]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5-ethyl-8-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | PDB:5SFW | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IQF or .IQF2 or .IQF3 or :3IQF;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-methyl-4-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole | PDB:5SDU | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I9Z or .I9Z2 or .I9Z3 or :3I9Z;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-6H-imidazo[4,5-g][1,3]benzothiazole | PDB:5SHH | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [107] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JFW or .JFW2 or .JFW3 or :3JFW;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-6-[(3S)-oxolan-3-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-6-[(3S)-oxolan-3-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide | PDB:5SKK | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [108] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KGO or .KGO2 or .KGO3 or :3KGO;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Methyl-3-(pyrrolidin-1-yl)quinoxaline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-3-pyrrolidin-1-ylquinoxaline | PDB:5SHX | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [109] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JJF or .JJF2 or .JJF3 or :3JJF;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-methyl-4-(morpholine-4-carbonyl)-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(morpholine-4-carbonyl)-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-3-carboxamide | PDB:5SFM | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ILN or .ILN2 or .ILN3 or :3ILN;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Butoxy-4-ethoxypyrimidin-2-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5-butoxy-4-ethoxypyrimidin-2-amine | PDB:5SG8 | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [110] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IW9 or .IW92 or .IW93 or :3IW9;style chemicals stick;color identity;select .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-[(3,5-dimethyl-4-propan-2-yloxy-pyridin-2-yl)methyl-oxidanyl-$l^{3}-sulfanyl]-8~{H}-imidazo[4,5-g][1,3]benzothiazole | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 7-[(3,5-dimethyl-4-propan-2-yloxypyridin-2-yl)methylsulfinyl]-6H-imidazo[4,5-g][1,3]benzothiazole | PDB:5SJ1 | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [111] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JWJ or .JWJ2 or .JWJ3 or :3JWJ;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-5-phenyl-1,2,4-triazol-3-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-[(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methyl]-2-methyl-5-phenyl-1,2,4-triazol-3-amine | PDB:5SKI | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [112] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KFX or .KFX2 or .KFX3 or :3KFX;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N'-(1-phenyl-1H-pyrazol-5-yl)urea | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea | PDB:5SJD | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [113] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K18 or .K182 or .K183 or :3K18;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N'-(1-phenyl-1H-pyrazol-5-yl)urea | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea | PDB:5SFZ | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [114] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IV0 or .IV02 or .IV03 or :3IV0;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: US10399985, Example 3 | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with [2-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl]methanol | PDB:5SFF | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IKH or .IKH2 or .IKH3 or :3IKH;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:677 or .A:678 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-3-carboxamide | PDB:5SE7 | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IE7 or .IE72 or .IE73 or :3IE7;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(4-methoxyphenyl)methyl]-N'-(4-methylphenyl)-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]urea | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea | PDB:5SG5 | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [115] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IVP or .IVP2 or .IVP3 or :3IVP;style chemicals stick;color identity;select .A:639 or .A:677 or .A:678 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:730 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-h]quinoline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-3H-imidazo[4,5-h]quinoline | PDB:5SHP | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [116] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JIG or .JIG2 or .JIG3 or :3JIG;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(azetidin-1-ylcarbonyl)-2-methyl-~{N}-(2-phenyl-2,3-dihydro-1~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-4-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with | PDB:5SFC | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IK6 or .IK62 or .IK63 or :3IK6;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,6,8-Trimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyrazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5,6,8-trimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | PDB:5SEQ | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IGO or .IGO2 or .IGO3 or :3IGO;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2-Phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanol | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with (2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanol | PDB:5SHW | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [117] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JJ6 or .JJ62 or .JJ63 or :3JJ6;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:686 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3-Dimethyl-6-quinoxalinamine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2,3-dimethylquinoxalin-6-amine | PDB:5SHE | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [118] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JD6 or .JD62 or .JD63 or :3JD6;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid (2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-3-carboxamide | PDB:5SJZ | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [119] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KA6 or .KA62 or .KA63 or :3KA6;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(6-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}pyridin-2-yl)morpholine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-[6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyridin-2-yl]morpholine | PDB:5SDX | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IAY or .IAY2 or .IAY3 or :3IAY;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(morpholin-4-yl)-1,3-benzothiazol-5-yl]-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide | PDB:5SH2 | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [120] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J0O or .J0O2 or .J0O3 or :3J0O;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6(5H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-(2-chlorophenyl)-12-methoxy-5-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-7-one | PDB:5SGZ | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [121] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IZQ or .IZQ2 or .IZQ3 or :3IZQ;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-3-(4-{2-[2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}naphthalen-1-yl)-2-methoxypropanoic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-[4-[2-[2-(2-ethoxy-4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]naphthalen-1-yl]-2-methoxypropanoic acid | PDB:5SKU | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [122] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KJ3 or .KJ32 or .KJ33 or :3KJ3;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6H-imidazo[1,2-c]quinazolin-5-one | PDB:5SGE | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [123] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IWS or .IWS2 or .IWS3 or :3IWS;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-methyl-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-(2-methylpyrrolidine-1-carbonyl)-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)pyrazole-3-carboxamide | PDB:5SIO | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [124] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JRC or .JRC2 or .JRC3 or :3JRC;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-tert-butyl-5-[(pyrimidin-5-yl)amino]-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-tert-butyl-5-(pyrimidin-5-ylamino)-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide | PDB:5SKE | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [125] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KF3 or .KF32 or .KF33 or :3KF3;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:730 or .A:732 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
3.954
HIS525
3.603
LEU635
3.893
PHE639
4.271
ASP674
3.853
LEU675
3.750
SER677
3.490
VAL678
3.720
THR685
3.625
THR688
3.575
ALA689
3.634
|
|||||
| Ligand Name: 2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline | PDB:5SE2 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IBY or .IBY2 or .IBY3 or :3IBY;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-f]quinoline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-3H-imidazo[4,5-f]quinoline | PDB:5SJB | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [126] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K0C or .K0C2 or .K0C3 or :3K0C;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(2,5-difluorophenyl)pyrazol-3-yl]-1-(3-methylsulfonylphenyl)pyridazin-4-one | PDB:5SIF | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [127] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JOO or .JOO2 or .JOO3 or :3JOO;style chemicals stick;color identity;select .A:524 or .A:525 or .A:633 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-1-methyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-(2-methyl-5-pyridin-2-ylpyrazol-3-yl)pyrazole-3-carboxamide | PDB:5SEL | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IG1 or .IG12 or .IG13 or :3IG1;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide | PDB:5SK6 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [128] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KC9 or .KC92 or .KC93 or :3KC9;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-bromo-2,5-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3-carboxamide | PDB:5SJY | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [129] |
| PDB Sequence |
QGLMQFTLPV
466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K9X or .K9X2 or .K9X3 or :3K9X;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-(2-methoxyethyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-(2-methoxyethyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SDY | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [33] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 ETAT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IB4 or .IB42 or .IB43 or :3IB4;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:711 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinoline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5-methyl-2-phenyl-4-(2-quinolin-8-yloxyethyl)-1,3-oxazole | PDB:5SH1 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [130] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IZW or .IZW2 or .IZW3 or :3IZW;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl)-2-methyl-4-(morpholine-4-carbonyl)pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-(6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl)-2-methyl-4-(morpholine-4-carbonyl)pyrazole-3-carboxamide | PDB:5SKL | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [131] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KH6 or .KH62 or .KH63 or :3KH6;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(thiophen-2-yl)methyl]quinoxaline-6-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide | PDB:5SIV | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [132] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JTL or .JTL2 or .JTL3 or :3JTL;style chemicals stick;color identity;select .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N~5~-[(4R)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-4-N,4-N,2-trimethylpyrazole-3,4-dicarboxamide | PDB:5SGM | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [133] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 ETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IY2 or .IY22 or .IY23 or :3IY2;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)-1H-pyrazol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-2-methylpyrazole-3-carboxamide | PDB:5SFQ | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IO7 or .IO72 or .IO73 or :3IO7;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-{[(4-ethoxy-5-methylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 7-[(4-ethoxy-5-methylpyridin-2-yl)methylsulfanyl]-6H-imidazo[4,5-g][1,3]benzothiazole | PDB:5SKA | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [134] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KDC or .KDC2 or .KDC3 or :3KDC;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-{[(5-methoxy-3,4,6-trimethylpyridin-2-yl)methyl]sulfanyl}-2H,5H-[1,3]dioxolo[4,5-f]benzimidazole | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-[(5-methoxy-3,4,6-trimethylpyridin-2-yl)methylsulfanyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole | PDB:5SH4 | ||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | No | [135] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J4I or .J4I2 or .J4I3 or :3J4I;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[2-[5-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-[5-[3-(difluoromethyl)pyrrolidin-1-yl]-2-methyl-1,2,4-triazol-3-yl]ethyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine | PDB:5SHA | ||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [136] |
| PDB Sequence |
QGLMQFTLPV
466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JBV or .JBV2 or .JBV3 or :3JBV;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,8-Dichloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dichloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one | PDB:5SJK | ||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [137] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K40 or .K402 or .K403 or :3K40;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,8-dimethyl-2-[2-[2-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-[2-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]-1,2,4-triazol-3-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | PDB:5SFS | ||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [33] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IOU or .IOU2 or .IOU3 or :3IOU;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-N-(2-fluoroethyl)-4-N,2-dimethyl-3-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-3,4-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-N-(2-fluoroethyl)-4-N,2-dimethyl-3-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-3,4-dicarboxamide | PDB:5SER | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IGW or .IGW2 or .IGW3 or :3IGW;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-{1-[2-(dimethylamino)ethyl]-3-(pyridin-2-yl)-1H-pyrazol-5-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[2-[2-(dimethylamino)ethyl]-5-pyridin-2-ylpyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SF4 | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IJD or .IJD2 or .IJD3 or :3IJD;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.087
HIS525
4.343
LEU635
3.201
LEU675
4.010
SER677
3.381
VAL678
3.736
THR685
3.472
THR688
3.814
ALA689
3.714
ILE692
3.813
TYR693
2.801
|
|||||
| Ligand Name: ethyl [(4-{[4-(azetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carbonyl]amino}-6-methylpyridin-2-yl)carbamothioyl]carbamate | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with ethyl N-[[4-[[4-(azetidine-1-carbonyl)-2-methylpyrazole-3-carbonyl]amino]-6-methylpyridin-2-yl]carbamothioyl]carbamate | PDB:5SJP | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [138] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K6O or .K6O2 or .K6O3 or :3K6O;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:711 or .A:713 or .A:725 or .A:726 or .A:729 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione | PDB:5SGT | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [139] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IYS or .IYS2 or .IYS3 or :3IYS;style chemicals stick;color identity;select .A:635 or .A:639 or .A:675 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-methoxypyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-methoxypyrazine-2-carboxamide | PDB:5SHM | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [140] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JHX or .JHX2 or .JHX3 or :3JHX;style chemicals stick;color identity;select .A:524 or .A:635 or .A:636 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(2,3-Dimethyl-quinoxalin-6-yl)-3-(3-methoxy-phenyl)-urea | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-(2,3-dimethylquinoxalin-6-yl)-3-(3-methoxyphenyl)urea | PDB:5SIA | ||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | No | [141] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JNL or .JNL2 or .JNL3 or :3JNL;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-Methyl-2,5-bis[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 7-methyl-2,5-bis[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | PDB:5SI0 | ||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | No | [142] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JKD or .JKD2 or .JKD3 or :3JKD;style chemicals stick;color identity;select .A:634 or .A:635 or .A:636 or .A:639 or .A:675 or .A:677 or .A:678 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-Chloro-5,7-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 8-chloro-5,7-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | PDB:5SHT | ||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | No | [143] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JIV or .JIV2 or .JIV3 or :3JIV;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)methanesulfonamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-7-yl)methanesulfonamide | PDB:5SI5 | ||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | No | [144] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JM0 or .JM02 or .JM03 or :3JM0;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:762; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-N'-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylidene]-2-ethoxy-2-[4-(1H-pyrazol-1-yl)phenyl]acetohydrazide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylideneamino]-2-ethoxy-2-(4-pyrazol-1-ylphenyl)acetamide | PDB:5SGL | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [145] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EETATW
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IXT or .IXT2 or .IXT3 or :3IXT;style chemicals stick;color identity;select .A:524 or .A:571 or .A:635 or .A:639 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:699 or .A:713 or .A:714 or .A:726 or .A:728 or .A:729 or .A:730 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
3.854
SER571
4.163
LEU635
3.677
PHE639
4.215
ASP674
4.409
LEU675
3.345
CYS676
4.713
SER677
3.941
VAL678
3.706
ILE692
3.527
TYR693
3.558
|
|||||
| Ligand Name: 2-methyl-3-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}quinoxaline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-3-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]quinoxaline | PDB:5SEB | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IF2 or .IF22 or .IF23 or :3IF2;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3,6-dimethyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3,6-dimethyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carboxamide | PDB:5SHF | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [146] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JFG or .JFG2 or .JFG3 or :3JFG;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,7,8-Trimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-c]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5,7,8-trimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine | PDB:5SEF | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EET
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IFR or .IFR2 or .IFR3 or :3IFR;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[(5-bromo-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-[(5-bromo-1-methyl-2-oxopyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-3H-benzimidazole-5-carboxamide | PDB:5SEG | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IFN or .IFN2 or .IFN3 or :3IFN;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.146
LEU635
4.386
PHE639
4.271
ASP674
4.960
LEU675
3.638
SER677
3.196
VAL678
4.122
ILE692
3.702
TYR693
2.646
PHE696
3.639
|
|||||
| Ligand Name: 7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 7-bromo-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine | PDB:5SK7 | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [147] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KCF or .KCF2 or .KCF3 or :3KCF;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-N~2~-(methanesulfonyl)-N~2~-naphthalen-1-ylglycinamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide | PDB:5SH0 | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [148] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IZT or .IZT2 or .IZT3 or :3IZT;style chemicals stick;color identity;select .A:524 or .A:571 or .A:634 or .A:635 or .A:636 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:689 or .A:692 or .A:693 or .A:696 or .A:711 or .A:713 or .A:714 or .A:726 or .A:729 or .A:730 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.199
SER571
3.963
ASP634
4.982
LEU635
3.849
ALA636
3.705
PHE639
3.657
ASP674
4.938
LEU675
3.406
SER677
3.803
VAL678
3.413
ALA689
4.784
|
|||||
| Ligand Name: N-cyclopropyl-5-(2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl)-N,1-dimethyl-1H-1,2,4-triazol-3-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-cyclopropyl-5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,1-dimethyl-1,2,4-triazol-3-amine | PDB:5SFH | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IKO or .IKO2 or .IKO3 or :3IKO;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: US8969376, 1.003 (HCl) | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5-[(3R)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine | PDB:5SIX | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [149] |
| PDB Sequence |
QGLMQFTLPV
466 RLKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JU6 or .JU62 or .JU63 or :3JU6;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.200
LEU635
4.453
PHE639
4.644
LEU675
3.729
SER677
3.854
VAL678
3.858
ILE692
3.275
TYR693
2.778
PHE696
4.025
PRO712
2.785
|
|||||
| Ligand Name: {(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with [2-cyclopropyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl]methanol | PDB:5SEY | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IIR or .IIR2 or .IIR3 or :3IIR;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
2.929
ASP674
4.080
LEU675
3.467
CYS676
4.788
SER677
3.834
VAL678
3.790
THR685
4.997
THR688
4.834
ALA689
3.723
ILE692
3.245
TYR693
2.774
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-amino-4-{[(1S)-cyclohex-2-en-1-yl]oxy}quinoline-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-amino-4-cyclohexyloxyquinoline-3-carbonitrile | PDB:5SH5 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [150] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J6I or .J6I2 or .J6I3 or :3J6I;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[(naphthalen-1-yl)methyl]-7-(piperidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-(naphthalen-1-ylmethyl)-7-piperidin-1-yltriazolo[4,5-d]pyrimidine | PDB:5SHS | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [151] |
| PDB Sequence |
QGLMQFTLPV
466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JIS or .JIS2 or .JIS3 or :3JIS;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[2-(2,5-Difluoro-phenyl)-2H-pyrazol-3-yl]-1-(3-trifluoromethoxy-phenyl)-1H-pyridazin-4-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(2,5-difluorophenyl)pyrazol-3-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | PDB:5SKD | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [152] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KER or .KER2 or .KER3 or :3KER;style chemicals stick;color identity;select .A:524 or .A:525 or .A:633 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[2-(2-Fluoro-phenyl)-2H-pyrazol-3-yl]-1-(3-trifluoromethyl-phenyl)-1H-pyridazin-4-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(2-fluorophenyl)pyrazol-3-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one | PDB:5SG7 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [153] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 CRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IVY or .IVY2 or .IVY3 or :3IVY;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-1-methyl-N-[3-(phenylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-[3-(phenylcarbamoyl)phenyl]pyrazole-3-carboxamide | PDB:5SHJ | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [154] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JGI or .JGI2 or .JGI3 or :3JGI;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-1-propyl-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-2-propylpyrazole-3-carboxamide | PDB:5SK8 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [155] |
| PDB Sequence |
GLMQFTLPVR
467 LKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 ETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KCU or .KCU2 or .KCU3 or :3KCU;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SEW | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [33] |
| PDB Sequence |
QGLMQFTLPV
466 RLKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .II5 or .II52 or .II53 or :3II5;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:730 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
3.867
HIS525
4.785
LEU635
3.721
PHE639
4.457
LEU675
3.594
SER677
3.319
VAL678
3.660
THR685
3.435
THR688
3.594
ALA689
3.556
ILE692
3.798
|
|||||
| Ligand Name: 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-methyl-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SE1 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [33] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 ETAT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IBV or .IBV2 or .IBV3 or :3IBV;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
3.913
HIS525
4.295
LEU635
3.857
PHE639
4.323
ASP674
4.861
LEU675
3.615
SER677
3.336
VAL678
3.583
THR685
3.301
THR688
3.675
|
|||||
| Ligand Name: ethyl 1-methyl-5-(propylcarbamoyl)-1H-pyrazole-4-carboxylate | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with ethyl 1-methyl-5-(propylcarbamoyl)pyrazole-4-carboxylate | PDB:5SGF | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [156] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IWY or .IWY2 or .IWY3 or :3IWY;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-(3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}propoxy)phenyl]acetamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-[3-[3-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxypropoxy]phenyl]acetamide | PDB:5SGO | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [157] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 CRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EETATW
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IYA or .IYA2 or .IYA3 or :3IYA;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-N,2-dimethyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3,4-dicarboxamide | PDB:5SK1 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [158] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IKE or .IKE2 or .IKE3 or :3IKE;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N~5~-[2-(3-chlorophenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-4,5-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-N-[2-(3-chlorophenyl)-1H-benzimidazol-5-yl]-2-methylpyrazole-3,4-dicarboxamide | PDB:5SG4 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [159] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EETAT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IVJ or .IVJ2 or .IVJ3 or :3IVJ;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: {8-[(2-Methyl-1,3-thiazol-4-yl)amino]-5-(pyridin-3-yl)-1,7-naphthyridin-2-yl}methanol | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with [8-[(2-methyl-1,3-thiazol-4-yl)amino]-5-pyridin-3-yl-1,7-naphthyridin-2-yl]methanol | PDB:5SHY | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [160] |
| PDB Sequence |
QGLMQFTLPV
466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JJR or .JJR2 or .JJR3 or :3JJR;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: diethyl 1,1'-[oxydi(3,1-phenylene)]bis(5-methyl-1H-imidazole-4-carboxylate) | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with ethyl 1-[3-[3-(4-ethoxycarbonyl-5-methyl-imidazol-1-yl)phenoxy]phenyl]-5-methyl-imidazole-4-carboxylate | PDB:5SKS | ||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [161] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KIS or .KIS2 or .KIS3 or :3KIS;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:697 or .A:712 or .A:713 or .A:715 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
3.978
LEU635
4.009
LEU675
4.314
SER677
4.239
VAL678
4.647
THR688
4.023
ALA689
4.143
ILE692
3.474
TYR693
2.726
PHE696
3.851
TRP697
4.099
PRO712
3.403
|
|||||
| Ligand Name: N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SFG | ||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IKK or .IKK2 or .IKK3 or :3IKK;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
3.960
LEU635
3.815
LEU675
3.836
SER677
3.338
VAL678
3.774
THR685
3.899
THR688
3.740
ALA689
3.716
ILE692
4.081
TYR693
2.766
|
|||||
| Ligand Name: 5,8-Dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | PDB:5SFT | ||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IOZ or .IOZ2 or .IOZ3 or :3IOZ;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-chloro-2-{[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}-4-(morpholin-4-yl)quinazoline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-[6-chloro-2-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinazolin-4-yl]morpholine | PDB:5SED | ||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IEU or .IEU2 or .IEU3 or :3IEU;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-3-{[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-N-(oxolan-3-yl)pyrazine-2-carboxamide | PDB:5SFA | ||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IJW or .IJW2 or .IJW3 or :3IJW;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2-oxo-N-(pyrimidin-5-yl)-1,2-dihydropyridine-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2-oxo-N-pyrimidin-5-ylpyridine-3-carboxamide | PDB:5SHC | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [162] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JDU or .JDU2 or .JDU3 or :3JDU;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.325
LEU635
4.835
LEU675
4.186
SER677
2.745
VAL678
3.730
THR685
3.374
THR688
3.784
ALA689
3.690
ILE692
4.049
TYR693
2.960
PHE696
3.755
|
|||||
| Ligand Name: 6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine-2-carboxamide | PDB:5SFK | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IL6 or .IL62 or .IL63 or :3IL6;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:730 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-chloro-2,3-dimethyl-8-pyrrolidin-1-ylimidazo[1,2-b]pyridazine | PDB:5SHL | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [163] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JHI or .JHI2 or .JHI3 or :3JHI;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-(3-{[(2S)-2,3-dihydroxypropyl](methyl)carbamoyl}-1-methyl-1H-pyrazol-4-yl)-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SDZ | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IB7 or .IB72 or .IB73 or :3IB7;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-[1-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-(2-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SEE | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IEN or .IEN2 or .IEN3 or :3IEN;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 9-methoxy-5H-pyrimido[5,4-b]indol-4-ol | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one | PDB:5SKB | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [164] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KDX or .KDX2 or .KDX3 or :3KDX;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-cyclohexyl-N-methyl-7H-purin-6-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-cyclohexyl-N-methyl-9H-purin-6-amine | PDB:5SJ0 | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [165] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JX9 or .JX92 or .JX93 or :3JX9;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N~4~,N~4~,1-trimethyl-N~5~-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-4,5-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-N,4-N,2-trimethyl-3-N-(2-phenyl-1H-benzimidazol-5-yl)pyrazole-3,4-dicarboxamide | PDB:5SDW | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IAL or .IAL2 or .IAL3 or :3IAL;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-chloro-2-(2-methylpropyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-chloro-2-(2-methylpropyl)-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3-carboxamide | PDB:5SGY | ||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | No | [166] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IZK or .IZK2 or .IZK3 or :3IZK;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-chloro-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-chloro-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine | PDB:5SEI | ||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IFE or .IFE2 or .IFE3 or :3IFE;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(2-Naphthalen-1-yl-2H-pyrazol-3-yl)-1-(3-trifluoromethoxy-phenyl)-1H-pyridazin-4-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-(2-naphthalen-1-ylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | PDB:5SI4 | ||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | No | [167] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JLR or .JLR2 or .JLR3 or :3JLR;style chemicals stick;color identity;select .A:524 or .A:525 or .A:571 or .A:633 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:714 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Chloro-1-naphthyl 1,2,3-thiadiazol-5-yl ether | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5-(4-chloronaphthalen-1-yl)oxythiadiazole | PDB:5SGB | ||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | No | [168] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IWG or .IWG2 or .IWG3 or :3IWG;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide | PDB:5SJ9 | ||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | No | [169] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JYL or .JYL2 or .JYL3 or :3JYL;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:688 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
3.537
LEU635
4.110
ASP674
4.592
LEU675
3.398
CYS676
4.943
SER677
3.768
VAL678
3.686
THR688
4.046
ILE692
3.384
TYR693
2.758
|
|||||
| Ligand Name: 1-Methyl-5-(2-phenyl-imidazo[1,2-a]pyrimidin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-methyl-5-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylic acid | PDB:5SI3 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [170] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EET
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JLI or .JLI2 or .JLI3 or :3JLI;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-3-[(pyrimidin-5-yl)amino]-N-[4-(pyrrolidine-1-carbonyl)pyridin-3-yl]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[4-(pyrrolidine-1-carbonyl)pyridin-3-yl]pyridine-2-carboxamide | PDB:5SFU | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IQ3 or .IQ32 or .IQ33 or :3IQ3;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:730 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.054
LEU635
3.487
PHE639
4.139
LEU675
3.747
SER677
3.123
VAL678
3.808
THR685
3.600
THR688
3.659
ALA689
3.822
ILE692
3.720
|
|||||
| Ligand Name: 6-cyclopropyl-N-[(3R)-1-(pyridin-2-yl)pyrrolidin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SI2 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [171] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JL6 or .JL62 or .JL63 or :3JL6;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
3.852
LEU635
3.376
LEU675
4.151
SER677
3.585
VAL678
3.697
THR685
4.206
THR688
4.036
ALA689
4.228
ILE692
4.042
TYR693
2.887
|
|||||
| Ligand Name: 6-cyclopropyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-(2-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SET | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [33] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 ETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IH8 or .IH82 or .IH83 or :3IH8;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.392
LEU635
3.766
LEU675
3.805
SER677
3.269
VAL678
3.701
THR685
3.668
THR688
3.812
ALA689
4.115
ILE692
3.938
TYR693
2.699
|
|||||
| Ligand Name: N-[3-methyl-1-(pyridin-2-yl)-1H-thieno[2,3-c]pyrazol-5-yl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with N-(3-methyl-1-pyridin-2-ylthieno[2,3-c]pyrazol-5-yl)benzamide | PDB:5SIN | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [172] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JQU or .JQU2 or .JQU3 or :3JQU;style chemicals stick;color identity;select .A:524 or .A:634 or .A:635 or .A:636 or .A:639 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (10R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]quinoline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]quinoline | PDB:5SG1 | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [173] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IV8 or .IV82 or .IV83 or :3IV8;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-N~4~-[(pyridin-2-yl)methyl]-1H-pyrazole-4,5-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(pyridin-2-ylmethyl)pyrazole-3,4-dicarboxamide | PDB:5SFJ | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IKZ or .IKZ2 or .IKZ3 or :3IKZ;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
3.777
LEU635
4.118
LEU675
3.754
SER677
3.625
VAL678
3.641
THR685
3.074
THR688
2.922
ALA689
3.118
ILE692
3.421
TYR693
2.575
PHE696
4.058
|
|||||
| Ligand Name: 4-(azetidine-1-carbonyl)-N-(1-cyclopentyl-1H-pyrazol-3-yl)-1-methyl-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-N-(1-cyclopentylpyrazol-3-yl)-2-methylpyrazole-3-carboxamide | PDB:5SFV | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IQ9 or .IQ92 or .IQ93 or :3IQ9;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Chloro-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-[1,2,4]triazolo[1,5-a]pyridine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-chloro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine | PDB:5SEJ | ||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IFV or .IFV2 or .IFV3 or :3IFV;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 12-Methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene-7-carbonitrile | PDB:5SJ8 | ||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [174] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JYA or .JYA2 or .JYA3 or :3JYA;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:685 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Chloroquinoxalin-2-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-chloroquinoxalin-2-amine | PDB:5SJ5 | ||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [175] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JXO or .JXO2 or .JXO3 or :3JXO;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)picolinamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide | PDB:5SIR | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [176] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JSF or .JSF2 or .JSF3 or :3JSF;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-chloro-N-[2-(3,5-dimethylphenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-chloro-N-[2-(3,5-dimethylphenyl)-1H-benzimidazol-5-yl]-2-methylpyrazole-3-carboxamide | PDB:5SIL | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [177] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 ETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JQC or .JQC2 or .JQC3 or :3JQC;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Cyclopropyl-7-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5-cyclopropyl-7-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine | PDB:5SE4 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [33] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ICW or .ICW2 or .ICW3 or :3ICW;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:688 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
3.763
LEU635
3.997
ASP674
4.784
LEU675
3.135
CYS676
4.880
SER677
3.496
VAL678
3.535
THR688
4.617
ILE692
3.865
TYR693
2.564
|
|||||
| Ligand Name: 3-Methyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-2-(trifluoro-methyl)imidazo[1,2-b]pyridazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine | PDB:5SIB | ||||
| Method | X-ray diffraction | Resolution | 2.54 Å | Mutation | No | [178] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JNU or .JNU2 or .JNU3 or :3JNU;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(methoxymethyl)-2-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(methoxymethyl)-2-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-3-carboxamide | PDB:5SGD | ||||
| Method | X-ray diffraction | Resolution | 2.54 Å | Mutation | No | [179] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IWN or .IWN2 or .IWN3 or :3IWN;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[1-(3-ethynylphenyl)-1H-pyrazol-5-yl]-1-phenylpyridazin-4(1H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-[2-(3-ethynylphenyl)pyrazol-3-yl]-1-phenylpyridazin-4-one | PDB:5SHZ | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [180] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EETA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JK6 or .JK62 or .JK63 or :3JK6;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:695 or .A:696 or .A:713 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 5,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine | PDB:5SIJ | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [181] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EIK or .EIK2 or .EIK3 or :3EIK;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:719 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[2-(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzo[de]isoquinoline-1,3-dione | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10 in complex with inhibitor AF-399/14387019 | PDB:6IJH | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [182] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AEO or .AEO2 or .AEO3 or :3AEO;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SHD | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [183] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JCP or .JCP2 or .JCP3 or :3JCP;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-{3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methyl-1H-pyrazol-4-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SKV | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [184] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KJC or .KJC2 or .KJC3 or :3KJC;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-methyl-N-[1-(propan-2-yl)-1H-pyrazol-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-methyl-N-(1-propan-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SKC | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [185] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KE6 or .KE62 or .KE63 or :3KE6;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:728 or .A:729 or .A:730 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-{4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SJL | ||||
| Method | X-ray diffraction | Resolution | 2.64 Å | Mutation | No | [186] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K49 or .K492 or .K493 or :3K49;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[(3,6-dimethylpyridine-2-carbonyl)amino]-N-methyl-2-phenyl-1H-benzimidazole-6-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-[(3,6-dimethylpyridine-2-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide | PDB:5SGJ | ||||
| Method | X-ray diffraction | Resolution | 2.66 Å | Mutation | No | [187] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IXI or .IXI2 or .IXI3 or :3IXI;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[(5-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-[(5-cyclopropyl-2-oxo-1H-pyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-3H-benzimidazole-5-carboxamide | PDB:5SH7 | ||||
| Method | X-ray diffraction | Resolution | 2.66 Å | Mutation | No | [188] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J8J or .J8J2 or .J8J3 or :3J8J;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SJS | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [189] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K5R or .K5R2 or .K5R3 or :3K5R;style chemicals stick;color identity;select .A:524 or .A:635 or .A:639 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:732 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-cyclopropyl-N-{2-[2-(methylamino)-2-oxoethyl]phenyl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide | PDB:5SKJ | ||||
| Method | X-ray diffraction | Resolution | 2.74 Å | Mutation | No | [190] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KG3 or .KG32 or .KG33 or :3KG3;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-methyl-6-{2-[(4R)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}-1,2,3,5-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 1-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one | PDB:5SJ4 | ||||
| Method | X-ray diffraction | Resolution | 2.77 Å | Mutation | No | [191] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JXI or .JXI2 or .JXI3 or :3JXI;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Chloro-5-methoxy-3-methylquinoxaline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-chloro-5-methoxy-3-methylquinoxaline | PDB:5SK9 | ||||
| Method | X-ray diffraction | Resolution | 2.82 Å | Mutation | No | [192] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LCRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KD4 or .KD42 or .KD43 or :3KD4;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(1h-Benzimidazol-2-Ylmethylsulfanyl)-2-Methyl-[1,2,4]triazolo[1,5-C]quinazoline | Ligand Info | |||||
| Structure Description | Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors, part 2, Lead-optimisation. | PDB:2Y0J | ||||
| Method | X-ray diffraction | Resolution | 2.43 Å | Mutation | No | [193] |
| PDB Sequence |
WQGLMQFTLP
455 VRLCKEIELF465 HFDIGPFENM475 WPGIFVYMVH485 RSCGTSCFEL495 EKLCRFIMSV 505 KKNYRRVPYH515 NWKHAVTVAH525 CMYAILQNNH535 TLFTDLERKG545 LLIACLCHDL 555 DHRGFSNSYL565 QKFDHPLAAL575 YSTSTMEQHH585 FSQTVSILQL595 EGHNIFSTLS 605 SSEYEQVLEI615 IRKAIIATDL625 ALYFGNRKQL635 EEMYQTGSLN645 LNNQSHRDRV 655 IGLMMTACDL665 CSVTKLWPVT675 KLTANDIYAE685 FWAEGDEMKK695 LGIQPIPMMD 705 RDKKDEVPQG715 QLGFYNAVAI725 PCYTTLTQIL735 PPTEPLLKAC745 RDNLSQWEKV 755 IRGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AXC or .AXC2 or .AXC3 or :3AXC;style chemicals stick;color identity;select .A:625 or .A:629 or .A:665 or .A:667 or .A:668 or .A:679 or .A:682 or .A:683 or .A:686 or .A:703 or .A:715 or .A:716 or .A:718 or .A:719 or .A:722 or .A:723; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(Cyclopropylmethyl)-4-Fluoranyl-5-[5-Methoxy-4-Oxidanylidene-3-(2-Phenylpyrazol-3-Yl)pyridazin-1-Yl]-3,3-Dimethyl-Indol-2-One | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of PDE10A complexed with highly potent and brain-penetrant PDE10A Inhibitor with 2-oxindole scaffold | PDB:5AXQ | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [194] |
| PDB Sequence |
EWQGLMQFTL
454 PVRLCKEIEL464 FHFDIGPFEN474 MWPGIFVYMV484 HRSCGTSCFE494 LEKLCRFIMS 504 VKKNYRRVPY514 HNWKHAVTVA524 HCMYAILQNN534 HTLFTDLERK544 GLLIACLCHD 554 LDHRGFSNSY564 LQKFDHPLAA574 LYSTSTMEQH584 HFSQTVSILQ594 LEGHNIFSTL 604 SSSEYEQVLE614 IIRKAIIATD624 LALYFGNRKQ634 LEEMYQTGSL644 NLNNQSHRDR 654 VIGLMMTACD664 LCSVTKLWPV674 TKLTANDIYA684 EFWAEGDEMK694 KLGIQPIPMM 704 DRDKKDEVPQ714 GQLGFYNAVA724 IPCYTTLTQI734 LPPTEPLLKA744 CRDNLSQWEK 754 VIRGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4LP or .4LP2 or .4LP3 or :34LP;style chemicals stick;color identity;select .A:514 or .A:515 or .A:624 or .A:625 or .A:626 or .A:629 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:703 or .A:715 or .A:716 or .A:719 or .A:723; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[3-Fluoranyl-4-[5-Methoxy-4-Oxidanylidene-3-(2-Phenylpyrazol-3-Yl)pyridazin-1-Yl]phenyl]-1,3-Oxazolidin-2-One | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | PDB:5AXP | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [194] |
| PDB Sequence |
EWQGLMQFTL
454 PVRLCKEIEL464 FHFDIGPFEN474 MWPGIFVYMV484 HRSCGTSCFE494 LEKLCRFIMS 504 VKKNYRRVPY514 HNWKHAVTVA524 HCMYAILQNN534 HTLFTDLERK544 GLLIACLCHD 554 LDHRGFSNSY564 LQKFDHPLAA574 LYSTSTMEQH584 HFSQTVSILQ594 LEGHNIFSTL 604 SSSEYEQVLE614 IIRKAIIATD624 LALYFGNRKQ634 LEEMYQTGSL644 NLNNQSHRDR 654 VIGLMMTACD664 LCSVTKLWPV674 TKLTANDIYA684 EFWAEGDEMK694 KLGIQPIPMM 704 DRDKKDEVPQ714 GQLGFYNAVA724 IPCYTTLTQI734 LPPTEPLLKA744 CRDNLSQWEK 754 VIRGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4LK or .4LK2 or .4LK3 or :34LK;style chemicals stick;color identity;select .A:514 or .A:515 or .A:624 or .A:625 or .A:626 or .A:629 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:703 or .A:715 or .A:716 or .A:719 or .A:723; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-{1-[5-(6,7-Dimethoxycinnolin-4-Yl)-3-Methylpyridin-2-Yl]piperidin-4-Yl}propan-2-Ol | Ligand Info | |||||
| Structure Description | PDE10a Crystal Structure Complexed with Novel Inhibitor | PDB:4DDL | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [195] |
| PDB Sequence |
TSEEWQGLMQ
451 FTLPVRLCKE461 IELFHFDIGP471 FENMWPGIFV481 YMVHRSCGTS491 CFELEKLCRF 501 IMSVKKNYRR511 VPYHNWKHAV521 TVAHCMYAIL531 QNNHTLFTDL541 ERKGLLIACL 551 CHDLDHRGFS561 NSYLQKFDHP571 LAALYSTSTM581 EQHHFSQTVS591 ILQLEGHNIF 601 STLSSSEYEQ611 VLEIIRKAII621 ATDLALYFGN631 RKQLEEMYQT641 GSLNLNNQSH 651 RDRVIGLMMT661 ACDLCSVTKL671 WPVTKLTAND681 IYAEFWAEGD691 EMKKLGIQPI 701 PMMDRDKKDE711 VPQGQLGFYN721 AVAIPCYTTL731 TQILPPTEPL741 LKACRDNLSQ 751 WEKVIRGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0JQ or .0JQ2 or .0JQ3 or :30JQ;style chemicals stick;color identity;select .A:514 or .A:561 or .A:563 or .A:625 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:701 or .A:703 or .A:704 or .A:715 or .A:716 or .A:719; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[trans-3-(2-Methoxy-3h-Imidazo[4,5-B]pyridin-3-Yl)cyclobutyl]-1,3-Benzothiazol-2-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor | PDB:4P0N | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [196] |
| PDB Sequence |
TLPVRLCKEI
462 ELFHFDIGPF472 ENMWPGIFVY482 MVHRSCGTSC492 FELEKLCRFI502 MSVKKNYRRV 512 PYHNWKHAVT522 VAHCMYAILQ532 NNHTLFTDLE542 RKGLLIACLC552 HDLDHRGFSN 562 SYLQKFDHPL572 AALYSTSTME582 QHHFSQTVSI592 LQLEGHNIFS602 TLSSSEYEQV 612 LEIIRKAIIA622 TDLALYFGNR632 KQLEEMYQTG642 SLNLNNQSHR652 DRVIGLMMTA 662 CDLCSVTKLW672 PVTKLTANDI682 YAEFWAEGDE692 MKKLGIQPIP702 MMDRDKKDEV 712 PQGQLGFYNA722 VAIPCYTTLT732 QILPPTEPLL742 KACRDNLSQW752 EKVIRGE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1IS or .1IS2 or .1IS3 or :31IS;style chemicals stick;color identity;select .A:514 or .A:625 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[trans-3-(2-Methoxy-3h-Imidazo[4,5-B]pyridin-3-Yl)cyclobutyl]-1,3-Benzothiazol-2-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor | PDB:4P0N | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [196] |
| PDB Sequence |
TLPVRLCKEI
462 ELFHFDIGPF472 ENMWPGIFVY482 MVHRSCGTSC492 FELEKLCRFI502 MSVKKNYRRV 512 PYHNWKHAVT522 VAHCMYAILQ532 NNHTLFTDLE542 RKGLLIACLC552 HDLDHRGFSN 562 SYLQKFDHPL572 AALYSTSTME582 QHHFSQTVSI592 LQLEGHNIFS602 TLSSSEYEQV 612 LEIIRKAIIA622 TDLALYFGNR632 KQLEEMYQTG642 SLNLNNQSHR652 DRVIGLMMTA 662 CDLCSVTKLW672 PVTKLTANDI682 YAEFWAEGDE692 MKKLGIQPIP702 MMDRDKKDEV 712 PQGQLGFYNA722 VAIPCYTTLT732 QILPPTEPLL742 KACRDNLSQW752 EKVIRGE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1IR or .1IR2 or .1IR3 or :31IR;style chemicals stick;color identity;select .A:514 or .A:625 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[4-(2-Methoxy-3h-Imidazo[4,5-B]pyridin-3-Yl)phenyl]-5-Methylpyridin-2-Amine | Ligand Info | |||||
| Structure Description | Crystal Structure of PDE10A with Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors | PDB:4P1R | ||||
| Method | X-ray diffraction | Resolution | 2.24 Å | Mutation | No | [196] |
| PDB Sequence |
TSEEWQGLMQ
451 FTLPVRLCKE461 IELFHFDIGP471 FENMWPGIFV481 YMVHRSCGTS491 CFELEKLCRF 501 IMSVKKNYRR511 VPYHNWKHAV521 TVAHCMYAIL531 QNNHTLFTDL541 ERKGLLIACL 551 CHDLDHRGFS561 NSYLQKFDHP571 LAALYSTSTM581 EQHHFSQTVS591 ILQLEGHNIF 601 STLSSSEYEQ611 VLEIIRKAII621 ATDLALYFGN631 RKQLEEMYQT641 GSLNLNNQSH 651 RDRVIGLMMT661 ACDLCSVTKL671 WPVTKLTAND681 IYAEFWAEGD691 EMKKLGIQPI 701 PMMDRDKKDE711 VPQGQLGFYN721 AVAIPCYTTL731 TQILPPTEPL741 LKACRDNLSQ 751 WEKVIRGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2KR or .2KR2 or .2KR3 or :32KR;style chemicals stick;color identity;select .A:514 or .A:625 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(Cyclopropylmethyl)-5-(2-(2,3-Dihydro-1h-Imidazo[1,2-A]benzimidazol-1-Yl)ethoxy)-3-(1-Phenyl-1h-Pyrazol-5-Yl)pyridazin-4(1h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human PDE10A complexed with 1-(cyclopropylmethyl)-5-(2-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-1-yl)ethoxy)-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one | PDB:5B4L | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [197] |
| PDB Sequence |
EWQGLMQFTL
454 PVRLCKEIEL464 FHFDIGPFEN474 MWPGIFVYMV484 HRSCGTSCFE494 LEKLCRFIMS 504 VKKNYRRVPY514 HNWKHAVTVA524 HCMYAILQNN534 HTLFTDLERK544 GLLIACLCHD 554 LDHRGFSNSY564 LQKFDHPLAA574 LYSTSTMEQH584 HFSQTVSILQ594 LEGHNIFSTL 604 SSSEYEQVLE614 IIRKAIIATD624 LALYFGNRKQ634 LEEMYQTGSL644 NLNNQSHRDR 654 VIGLMMTACD664 LCSVTKLWPV674 TKLTANDIYA684 EFWAEGDEMK694 KLGIQPIPMM 704 DRDKKDEVPQ714 GQLGFYNAVA724 IPCYTTLTQI734 LPPTEPLLKA744 CRDNLSQWEK 754 VIRGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6DW or .6DW2 or .6DW3 or :36DW;style chemicals stick;color identity;select .A:514 or .A:515 or .A:625 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(1-Phenyl-1h-Pyrazol-5-Yl)-1-[3-(Trifluoromethyl)phenyl]pyridazin-4(1h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of PDE10A complexed with 3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one | PDB:3WYK | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [5] |
| PDB Sequence |
EWQGLMQFTL
454 PVRLCKEIEL464 FHFDIGPFEN474 MWPGIFVYMV484 HRSCGTSCFE494 LEKLCRFIMS 504 VKKNYRRVPY514 HNWKHAVTVA524 HCMYAILQNN534 HTLFTDLERK544 GLLIACLCHD 554 LDHRGFSNSY564 LQKFDHPLAA574 LYSTSTMEQH584 HFSQTVSILQ594 LEGHNIFSTL 604 SSSEYEQVLE614 IIRKAIIATD624 LALYFGNRKQ634 LEEMYQTGSL644 NLNNQSHRDR 654 VIGLMMTACD664 LCSVTKLWPV674 TKLTANDIYA684 EFWAEGDEMK694 KLGIQPIPMM 704 DRDKKDEVPQ714 GQLGFYNAVA724 IPCYTTLTQI734 LPPTEPLLKA744 CRDNLSQWEK 754 VIRGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3KG or .3KG2 or .3KG3 or :33KG;style chemicals stick;color identity;select .A:514 or .A:515 or .A:625 or .A:629 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:703 or .A:716 or .A:719 or .A:723; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Methoxy-3-(1-Phenyl-1h-Pyrazol-5-Yl)-1-[3-(Trifluoromethyl)phenyl]pyridazin-4(1h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of PDE10A complexed with 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one | PDB:3WYL | ||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | No | [5] |
| PDB Sequence |
EWQGLMQFTL
454 PVRLCKEIEL464 FHFDIGPFEN474 MWPGIFVYMV484 HRSCGTSCFE494 LEKLCRFIMS 504 VKKNYRRVPY514 HNWKHAVTVA524 HCMYAILQNN534 HTLFTDLERK544 GLLIACLCHD 554 LDHRGFSNSY564 LQKFDHPLAA574 LYSTSTMEQH584 HFSQTVSILQ594 LEGHNIFSTL 604 SSSEYEQVLE614 IIRKAIIATD624 LALYFGNRKQ634 LEEMYQTGSL644 NLNNQSHRDR 654 VIGLMMTACD664 LCSVTKLWPV674 TKLTANDIYA684 EFWAEGDEMK694 KLGIQPIPMM 704 DRDKKDEVPQ714 GQLGFYNAVA724 IPCYTTLTQI734 LPPTEPLLKA744 CRDNLSQWEK 754 VIRGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3KB or .3KB2 or .3KB3 or :33KB;style chemicals stick;color identity;select .A:514 or .A:515 or .A:625 or .A:629 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:703 or .A:715 or .A:716 or .A:719 or .A:723; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-((5-Methyl-5h-Pyrrolo[3,2-D]pyrimidin-4-Yl)oxy)phenyl)-1h-Benzimidazol-2-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of human PDE10A complexed with N-(4-((5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1H-benzimidazol-2-amine | PDB:5B4K | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [197] |
| PDB Sequence |
EWQGLMQFTL
454 PVRLCKEIEL464 FHFDIGPFEN474 MWPGIFVYMV484 HRSCGTSCFE494 LEKLCRFIMS 504 VKKNYRRVPY514 HNWKHAVTVA524 HCMYAILQNN534 HTLFTDLERK544 GLLIACLCHD 554 LDHRGFSNSY564 LQKFDHPLAA574 LYSTSTMEQH584 HFSQTVSILQ594 LEGHNIFSTL 604 SSSEYEQVLE614 IIRKAIIATD624 LALYFGNRKQ634 LEEMYQTGSL644 NLNNQSHRDR 654 VIGLMMTACD664 LCSVTKLWPV674 TKLTANDIYA684 EFWAEGDEMK694 KLGIQPIPMM 704 DRDKKDEVPQ714 GQLGFYNAVA724 IPCYTTLTQI734 LPPTEPLLKA744 CRDNLSQWEK 754 VIRGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6DT or .6DT2 or .6DT3 or :36DT;style chemicals stick;color identity;select .A:514 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Methoxy-3,8-Dimethyl-4-(Piperazin-1-Yl)-1h-Pyrazolo[3,4-B]quinoline | Ligand Info | |||||
| Structure Description | The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia | PDB:3UUO | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [198] |
| PDB Sequence |
PVRLCKEIEL
474 FHFDIGPFEN484 MWPGIFVYMV494 HRSCGTSCFE504 LEKLCRFIMS514 VKKNYRRVPY 524 HNWKHAVTVA534 HCMYAILQNN544 HTLFTDLERK554 GLLIACLCHD564 LDHRGFSNSY 574 LQKFDHPLAA584 LYSTSTMEQH594 HFSQTVSILQ604 LEGHNIFSTL614 SSSEYEQVLE 624 IIRKAIIATD634 LALYFGNRKQ644 LEEMYQTGSL654 NLNNQSHRDR664 VIGLMMTACD 674 LCSVTKLWPV684 TKLTANDIYA694 EFWAEGDEMK704 KLGIQPIPMM714 DRDKKDEVPQ 724 GQLGFYNAVA734 IPCYTTLTQI744 LPPTEPLLKA754 CRDNLSQWEK764 VIRGE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0CV or .0CV2 or .0CV3 or :30CV;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:714 or .A:725 or .A:726 or .A:729 or .A:730 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[3-[1-[(2s)-2-Methoxypropyl]pyrazol-4-Yl]-2-Methyl-Imidazo[1,2-A]pyrazin-8-Yl]morpholine | Ligand Info | |||||
| Structure Description | Discovery of a potent, selective and orally active PDE10A inhibitor for the treatment of schizophrenia | PDB:4BBX | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [199] |
| PDB Sequence |
GLMQFTLPVR
457 LCKEIELFHF467 DIGPFENMWP477 GIFVYMVHRS487 CGTSCFELEK497 LCRFIMSVKK 507 NYRRVPYHNW517 KHAVTVAHCM527 YAILQNNHTL537 FTDLERKGLL547 IACLCHDLDH 557 RGFSNSYLQK567 FDHPLAALYS577 TSTMEQHHFS587 QTVSILQLEG597 HNIFSTLSSS 607 EYEQVLEIIR617 KAIIATDLAL627 YFGNRKQLEE637 MYQTGSLNLN647 NQSHRDRVIG 657 LMMTACDLCS667 VTKLWPVTKL677 TANDIYAEFW687 AEGDEMKKLG697 IQPIPMMDRD 707 KKDEVPQGQL717 GFYNAVAIPC727 YTTLTQILPP737 TEPLLKACRD747 NLSQWEKVIR 757 GE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LKF or .LKF2 or .LKF3 or :3LKF;style chemicals stick;color identity;select .A:514 or .A:561 or .A:563 or .A:625 or .A:665 or .A:667 or .A:668 or .A:678 or .A:679 or .A:682 or .A:683 or .A:686 or .A:701 or .A:703 or .A:704 or .A:716 or .A:719; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Methoxy-3,8-Dimethyl-4-(Morpholin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]quinoline | Ligand Info | |||||
| Structure Description | Discovery of orally active pyrazoloquinoline as a potent PDE10 inhibitor for the management of schizophrenia | PDB:3UI7 | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [200] |
| PDB Sequence |
WQGLMQFTLP
465 VRLCKEIELF475 HFDIGPFENM485 WPGIFVYMVH495 RSCGTSCFEL505 EKLCRFIMSV 515 KKNYRRVPYH525 NWKHAVTVAH535 CMYAILQNNH545 TLFTDLERKG555 LLIACLCHDL 565 DHRGFSNSYL575 QKFDHPLAAL585 YSTSTMEQHH595 FSQTVSILQL605 EGHNIFSTLS 615 SSEYEQVLEI625 IRKAIIATDL635 ALYFGNRKQL645 EEMYQTGSLN655 LNNQSHRDRV 665 IGLMMTACDL675 CSVTKLWPVT685 KLTANDIYAE695 FWAEGDEMKK705 LGIQPIPMMD 715 RDKKDEVPQG725 QLGFYNAVAI735 PCYTTLTQIL745 PPTEPLLKAC755 RDNLSQWEKV 765 IRGEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C1L or .C1L2 or .C1L3 or :3C1L;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7,8-dimethoxy-1-methyl-3H-pyrazolo[3,4-c]cinnoline | Ligand Info | |||||
| Structure Description | Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors | PDB:6MSA | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [201] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEETATW
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JY4 or .JY42 or .JY43 or :3JY4;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline | Ligand Info | |||||
| Structure Description | Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors | PDB:6MSC | ||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | No | [201] |
| PDB Sequence |
MSICTSEEWQ
457 GLMQFTLPVR467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK 507 LCRFIMSVKK517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL 557 IACLCHDLDH567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG 607 HNIFSTLSSS617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN 657 NQSHRDRVIG667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG 707 IQPIPMMDRD717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD 757 NLSQWEKVIR767 GE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JY7 or .JY72 or .JY73 or :3JY7;style chemicals stick;color identity;select .A:524 or .A:525 or .A:633 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-Oxo-3h-Quinazolin-2-Yl)acetamide | Ligand Info | |||||
| Structure Description | Identification and structural characterization of PDE10 fragment inhibitors | PDB:4AJF | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [202] |
| PDB Sequence |
NASICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEETATW
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F03 or .F032 or .F033 or :3F03;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Ethyl-4-Methyl-Phthalazin-1-One | Ligand Info | |||||
| Structure Description | Identification and structural characterization of PDE10 fragment inhibitors | PDB:4AJD | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [203] |
| PDB Sequence |
NASICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F04 or .F042 or .F043 or :3F04;style chemicals stick;color identity;select .A:635 or .A:675 or .A:677 or .A:678 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Thieno[3,2-c][1,6]naphthyridine | Ligand Info | |||||
| Structure Description | Identification and structural characterization of PDE10 fragment inhibitors | PDB:4AJG | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [204] |
| PDB Sequence |
ASICTSEEWQ
457 GLMQFTLPVR467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK 507 LCRFIMSVKK517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL 557 IACLCHDLDH567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG 607 HNIFSTLSSS617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN 657 NQSHRDRVIG667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG 707 IQPIPMMDRD717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD 757 NLSQWEKVIR767 G
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F07 or .F072 or .F073 or :3F07;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A catalytic domain complexed with LHB-6 | PDB:5ZNL | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [205] |
| PDB Sequence |
MSICTSEEWQ
457 GLMQFTLPVR467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK 507 LCRFIMSVKK517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL 557 IACLCHDLDH567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG 607 HNIFSTLSSS617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN 657 NQSHRDRVIG667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG 707 IQPIPMMDRD717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD 757 NLSQWEKVIR767 GEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9G6 or .9G62 or .9G63 or :39G6;style chemicals stick;color identity;select .A:524 or .A:525 or .A:571 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline | Ligand Info | |||||
| Structure Description | The crystal structue of PDE10A complexed with 14 | PDB:7BPI | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [206] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LCRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DZU or .DZU2 or .DZU3 or :3DZU;style chemicals stick;color identity;select .A:524 or .A:635 or .A:636 or .A:639 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:732; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.751
LEU635
4.348
ALA636
4.459
PHE639
3.713
LEU675
3.711
SER677
3.879
VAL678
3.540
ILE692
3.487
TYR693
2.768
PHE696
3.768
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-[2-(5,8-Dimethyl[1,2,4]triazolo[1,5-A]pyrazin-2-Yl)ethyl]-3-Methyl-3h-Imidazo[4,5-F]quinoline | Ligand Info | |||||
| Structure Description | Co-crystal structure of 2-[2-(5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methyl-3H-imidazo[4,5-f]quinoline (compound 39) with PDE10A | PDB:4YS7 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [207] |
| PDB Sequence |
ASICTSEEWQ
457 GLMQFTLPVR467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK 507 LCRFIMSVKK517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL 557 IACLCHDLDH567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG 607 HNIFSTLSSS617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN 657 NQSHRDRVIG667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG 707 IQPIPMMDRD717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD 757 NLSQWEKVIR767 GE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4GK or .4GK2 or .4GK3 or :34GK;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[2-(5-Methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one | Ligand Info | |||||
| Structure Description | The crystal structue of PDE10A complexed with 1i | PDB:6KO0 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [208] |
| PDB Sequence |
FTLPVRLCKE
471 IELFHFDIGP481 FENMWPGIFV491 YMVHRSCGTS501 CFELEKLCRF511 IMSVKKNYRR 521 VPYHNWKHAV531 TVAHCMYAIL541 QNNHTLFTDL551 ERKGLLIACL561 CHDLDHRGFS 571 NSYLQKFDHP581 LAALYSTSTM591 EQHHFSQTVS601 ILQLEGHNIF611 STLSSSEYEQ 621 VLEIIRKAII631 ATDLALYFGN641 RKQLEEMYQT651 GSLNLNNQSH661 RDRVIGLMMT 671 ACDLCSVTKL681 WPVTKLTAND691 IYAEFWAEGD701 EMKKLGIQPI711 PMMDRDKKDE 721 VPQGQLGFYN731 AVAIPCYTTL741 TQILPPTEPL751 LKACRDNLSQ761 WEKVIRGE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DKU or .DKU2 or .DKU3 or :3DKU;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Chloranyl-3-[2-(5-methyl-1-phenyl-benzimidazol-2-yl)ethyl]chromen-4-one | Ligand Info | |||||
| Structure Description | The crystal structue of PDE10A complexed with 2d | PDB:6KO1 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [208] |
| PDB Sequence |
MQFTLPVRLC
469 KEIELFHFDI479 GPFENMWPGI489 FVYMVHRSCG499 TSCFELEKLC509 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DL0 or .DL02 or .DL03 or :3DL0;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:728 or .A:729 or .A:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[2-(4-Phenyl-1h-Imidazol-2-Yl)ethyl]quinoxaline | Ligand Info | |||||
| Structure Description | 2-[2-(4-Phenyl-1H-imidazol-2-yl)ethyl]quinoxaline (Sunovion Compound 14) co-crystallized with PDE10A | PDB:4YQH | ||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [207] |
| PDB Sequence |
SICTSEEWQG
458 LMQFTLPVRL468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL 508 CRFIMSVKKN518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI 558 ACLCHDLDHR568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH 608 NIFSTLSSSE618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN 658 QSHRDRVIGL668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI 708 QPIPMMDRDK718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN 758 LSQWEKVIRG768 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4F7 or .4F72 or .4F73 or :34F7;style chemicals stick;color identity;select .A:524 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Chloranyl-5,8-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)ethyl]-[1,2,4]triazolo[1,5-A]pyridine | Ligand Info | |||||
| Structure Description | human PDE10A, 6-Chloro-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-2H-[1,2,4]triazol-3-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine, 2.20A, H3, Rfree=23.5% | PDB:5EDI | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [209] |
| PDB Sequence |
> Chain A
GLMQFTLPVR 467 LCREIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE> Chain B TSEEWQGLMQ 461 FTLPVRLCRE471 IELFHFDIGP481 FENMWPGIFV491 YMVHRSCGTS501 CFELEKLRFI 512 MSVKKNYRRV522 PYHNWKHAVT532 VAHCMYAILQ542 NNHTLFTDLE552 RKGLLIACLC 562 HDLDHRGFSN572 SYLQKFDHPL582 AALYSTSTME592 QHHFSQTVSI602 LQLEGHNIFS 612 TLSSSEYEQV622 LEIIRKAIIA632 TDLALYFGNR642 KQLEEMYQTG652 SLNLNNQSHR 662 DRVIGLMMTA672 CDLCSVTKLW682 PVTKLTANDI692 YAEFWAEGDE702 MKKLGIQPIP 712 MMDRDKKDEV722 PQGQLGFYNA732 VAIPCYTTLT742 QILPPTEPLL752 KACRDNLSQW 762 EKVIRGEEA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5M9 or .5M92 or .5M93 or :35M9;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .B:524 or .B:635 or .B:674 or .B:675 or .B:676 or .B:677 or .B:678 or .B:692 or .B:693 or .B:696 or .B:712 or .B:713 or .B:718 or .B:721 or .B:722 or .B:725 or .B:726 or .B:729 or .B:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524[A]
4.169
LEU635[A]
4.187
ASP674[A]
4.642
LEU675[A]
3.517
CYS676[A]
4.986
SER677[A]
3.896
VAL678[A]
3.665
ILE692[A]
3.539
TYR693[A]
2.798
PHE696[A]
3.439
PRO712[A]
3.611
MET713[A]
3.670
LYS718[A]
3.402
GLU721[A]
3.378
VAL722[A]
3.621
GLY725[A]
3.402
GLN726[A]
2.959
PHE729[A]
3.455
TYR524[B]
3.940
LEU635[B]
4.109
ASP674[B]
4.569
LEU675[B]
3.373
CYS676[B]
4.982
SER677[B]
3.719
VAL678[B]
3.689
ILE692[B]
3.663
TYR693[B]
2.726
PHE696[B]
3.448
PRO712[B]
3.731
MET713[B]
3.493
LYS718[B]
3.592
GLU721[B]
3.627
VAL722[B]
3.756
GLY725[B]
3.388
GLN726[B]
3.178
PHE729[B]
3.476
TYR730[B]
4.972
|
|||||
| Ligand Name: (1-{3-[4-(1h-Benzimidazol-2-Ylamino)phenoxy]pyridin-2-Yl}piperidin-4-Yl)methanol | Ligand Info | |||||
| Structure Description | Crystal Structure of PDE10A with a biaryl ether inhibitor ((1-(3-(4-((1H-benzo[d]imidazol-2-yl)amino)phenoxy)pyridin-2-yl)piperidin-4-yl)methanol) | PDB:4HEU | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [210] |
| PDB Sequence |
TSEEWQGLMQ
451 FTLPVRLCKE461 IELFHFDIGP471 FENMWPGIFV481 YMVHRSCGTS491 CFELEKLCRF 501 IMSVKKNYRR511 VPYHNWKHAV521 TVAHCMYAIL531 QNNHTLFTDL541 ERKGLLIACL 551 CHDLDHRGFS561 NSYLQKFDHP571 LAALYSTSTM581 EQHHFSQTVS591 ILQLEGHNIF 601 STLSSSEYEQ611 VLEIIRKAII621 ATDLALYFGN631 RKQLEEMYQT641 GSLNLNNQSH 651 RDRVIGLMMT661 ACDLCSVTKL671 WPVTKLTAND681 IYAEFWAEGD691 EMKKLGIQPI 701 PMMDRDKKDE711 VPQGQLGFYN721 AVAIPCYTTL731 TQILPPTEPL741 LKACRDNLSQ 751 WEKVIRGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .15J or .15J2 or .15J3 or :315J;style chemicals stick;color identity;select .A:514 or .A:625 or .A:665 or .A:667 or .A:668 or .A:675 or .A:676 or .A:678 or .A:679 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719 or .A:720; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR514
3.263
LEU625
4.159
LEU665
3.511
SER667
3.854
VAL668
3.925
THR675
2.753
LYS676
4.822
THR678
3.818
ALA679
3.524
ILE682
3.843
TYR683
2.715
|
|||||
| Ligand Name: (1s)-1-(1-{3-[4-(1,3-Benzothiazol-2-Ylamino)phenoxy]pyrazin-2-Yl}piperidin-4-Yl)ethanol | Ligand Info | |||||
| Structure Description | Crystal Structure of PDE10A with a biaryl ether inhibitor (1-(1-(3-(4-(benzo[d]thiazol-2-ylamino)phenoxy)pyrazin-2-yl)piperidin-4-yl)ethanol) | PDB:4HF4 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [210] |
| PDB Sequence |
TSEEWQGLMQ
451 FTLPVRLCKE461 IELFHFDIGP471 FENMWPGIFV481 YMVHRSCGTS491 CFELEKLCRF 501 IMSVKKNYRR511 VPYHNWKHAV521 TVAHCMYAIL531 QNNHTLFTDL541 ERKGLLIACL 551 CHDLDHRGFS561 NSYLQKFDHP571 LAALYSTSTM581 EQHHFSQTVS591 ILQLEGHNIF 601 STLSSSEYEQ611 VLEIIRKAII621 ATDLALYFGN631 RKQLEEMYQT641 GSLNLNNQSH 651 RDRVIGLMMT661 ACDLCSVTKL671 WPVTKLTAND681 IYAEFWAEGD691 EMKKLGIQPI 701 PMMDRDKKDE711 VPQGQLGFYN721 AVAIPCYTTL731 TQILPPTEPL741 LKACRDNLSQ 751 WEKVIRGE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .15H or .15H2 or .15H3 or :315H;style chemicals stick;color identity;select .A:514 or .A:515 or .A:623 or .A:625 or .A:664 or .A:665 or .A:667 or .A:668 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(1-Phenyl-1h-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1h)-one | Ligand Info | |||||
| Structure Description | human PDE10A in complex with 3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | PDB:5I2R | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [209] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .67A or .67A2 or .67A3 or :367A;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:674 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:733; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-Ethyl-5-Methyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)ethyl]-[1,2,4]triazolo[1,5-C]pyrimidine | Ligand Info | |||||
| Structure Description | human PDE10A, 8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine, 2.03A, H3, Rfree=22.7% | PDB:5EDH | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [209] |
| PDB Sequence |
LMQFTLPVRL
468 CKEIELFHFD478 IGPFENMWPG488 IFVYMVHRSC498 GTSCFELEKL508 RFIMSVKKNY 519 RRVPYHNWKH529 AVTVAHCMYA539 ILQNNHTLFT549 DLERKGLLIA559 CLCHDLDHRG 569 FSNSYLQKFD579 HPLAALYSTS589 TMEQHHFSQT599 VSILQLEGHN609 IFSTLSSSEY 619 EQVLEIIRKA629 IIATDLALYF639 GNRKQLEEMY649 QTGSLNLNNQ659 SHRDRVIGLM 669 MTACDLCSVT679 KLWPVTKLTA689 NDIYAEFWAE699 GDEMKKLGIQ709 PIPMMDRDKK 719 DEVPQGQLGF729 YNAVAIPCYT739 TLTQILPPTE749 PLLKACRDNL759 SQWEKVIRGE 769 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5MF or .5MF2 or .5MF3 or :35MF;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(4-Chlorophenyl)-3-Methyl-~{n}-[[(2~{r})-Oxolan-2-Yl]methyl]thieno[2,3-C]pyrazole-5-Carboxamide | Ligand Info | |||||
| Structure Description | human PDE10A in complex with 1-(4-Chloro-phenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide at 2.2A | PDB:5EDE | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [209] |
| PDB Sequence |
> Chain A
QGLMQFTLPV 466 RLCREIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEE> Chain B AGLMQFTLPV 466 RLCREIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEEA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5M6 or .5M62 or .5M63 or :35M6;style chemicals stick;color identity;select .A:524 or .A:571 or .A:573 or .A:635 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:699 or .A:711 or .A:713 or .A:714 or .A:725 or .A:726 or .A:729 or .B:524 or .B:571 or .B:573 or .B:635 or .B:674 or .B:675 or .B:676 or .B:677 or .B:678 or .B:692 or .B:693 or .B:696 or .B:699 or .B:711 or .B:713 or .B:714 or .B:725 or .B:726 or .B:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524[A]
3.803
SER571[A]
4.190
SER573[A]
3.746
LEU635[A]
3.981
ASP674[A]
4.407
LEU675[A]
3.247
CYS676[A]
4.602
SER677[A]
3.602
VAL678[A]
3.548
ILE692[A]
3.705
TYR693[A]
3.815
PHE696[A]
3.964
GLU699[A]
4.656
ILE711[A]
3.837
MET713[A]
3.167
MET714[A]
3.061
GLY725[A]
3.816
GLN726[A]
3.130
PHE729[A]
3.309
TYR524[B]
3.743
SER571[B]
4.122
SER573[B]
3.673
LEU635[B]
3.993
ASP674[B]
4.299
LEU675[B]
3.265
CYS676[B]
4.466
SER677[B]
3.227
VAL678[B]
3.485
ILE692[B]
3.519
TYR693[B]
4.227
PHE696[B]
3.842
GLU699[B]
4.583
ILE711[B]
4.377
MET713[B]
3.107
MET714[B]
3.265
GLY725[B]
3.948
GLN726[B]
3.429
PHE729[B]
3.396
|
|||||
| Ligand Name: 3-(2-Chloranyl-5-Phenyl-1~{h}-Imidazol-4-Yl)-1-[3-(Trifluoromethyloxy)phenyl]pyridazin-4-One | Ligand Info | |||||
| Structure Description | human PDE10A in complex with 3-(2-Chloro-5-phenyl-3H-imidazol-4-yl)-1-(3-trifluoromethoxy-phenyl)-1H-pyridazin-4-one at 2.30A | PDB:5EDG | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [209] |
| PDB Sequence |
> Chain A
GLMQFTLPVR 467 LCREIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE> Chain B QGLMQFTLPV 466 RLCREIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE506 KLRFIMSVKK 517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL557 IACLCHDLDH 567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG607 HNIFSTLSSS 617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN657 NQSHRDRVIG 667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG707 IQPIPMMDRD 717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD757 NLSQWEKVIR 767 GEEA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5MG or .5MG2 or .5MG3 or :35MG;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:639 or .A:674 or .A:675 or .A:676 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:713 or .A:725 or .A:726 or .A:729 or .A:732 or .A:733 or .B:524 or .B:525 or .B:635 or .B:639 or .B:674 or .B:675 or .B:676 or .B:677 or .B:678 or .B:692 or .B:693 or .B:696 or .B:713 or .B:725 or .B:726 or .B:729 or .B:733; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524[A]
3.965
HIS525[A]
3.659
LEU635[A]
3.914
PHE639[A]
3.626
ASP674[A]
4.549
LEU675[A]
3.258
CYS676[A]
4.830
SER677[A]
3.534
VAL678[A]
3.814
ILE692[A]
3.739
TYR693[A]
3.837
PHE696[A]
3.986
MET713[A]
3.497
GLY725[A]
4.930
GLN726[A]
2.764
PHE729[A]
3.223
ALA732[A]
4.721
VAL733[A]
4.004
|
|||||
| Ligand Name: 4-[5-[1-(2-Methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine | Ligand Info | |||||
| Structure Description | PDE10a with imidazopyrazine inhibitor | PDB:5K9R | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [211] |
| PDB Sequence |
GLMQFTLPVR
457 LCKEIELFHF467 DIGPFENMWP477 GIFVYMVHRS487 CGTSCFELEK497 LCRFIMSVKK 507 NYRRVPYHNW517 KHAVTVAHCM527 YAILQNNHTL537 FTDLERKGLL547 IACLCHDLDH 557 RGFSNSYLQK567 FDHPLAALYS577 TSTMEQHHFS587 QTVSILQLEG597 HNIFSTLSSS 607 EYEQVLEIIR617 KAIIATDLAL627 YFGNRKQLEE637 MYQTGSLNLN647 NQSHRDRVIS 657 LMMTACDLCS667 VTKLWPVTKL677 TANDIYAEFW687 AEGDEMKKLG697 IQPIPMMDRD 707 KKDEVPQGQL717 GFYNAVAIPC727 YTTLTQILPP737 TEPLLKACRD747 NLSQWEKVIR 757 GE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6RC or .6RC2 or .6RC3 or :36RC;style chemicals stick;color identity;select .A:514 or .A:561 or .A:563 or .A:625 or .A:665 or .A:667 or .A:668 or .A:678 or .A:679 or .A:682 or .A:683 or .A:686 or .A:702 or .A:703 or .A:704 or .A:708 or .A:711 or .A:712 or .A:715 or .A:716 or .A:719; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR514
3.410
SER561
3.877
SER563
3.605
LEU625
4.189
LEU665
4.089
SER667
4.385
VAL668
4.097
THR678
4.529
ALA679
4.269
ILE682
3.287
TYR683
2.766
|
|||||
| Ligand Name: Selenomethionine | Ligand Info | |||||
| Structure Description | Crystal structure of the C-terminal GAF domain of human phosphodiesterase 10A | PDB:2ZMF | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [212] |
| PDB Sequence |
QTELNDFLLD
255 VSKTYFDNIV265 AIDSLLEHII276 YAKNLVNADR286 CALFQVDHKN296 KELYSDLFDI 306 GEEKEGKPVF316 KKTKEIRFSI326 EKGIAGQVAR336 TGEVLNIPDA346 YADPRFNREV 356 DLYTGYTTRN366 ILCPIVSRGS377 VIGVVQVNKI388 SGSAFSKTDE398 NNFKFAVFCA 409 LALHCANYHR420 IR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MSE or .MSE2 or .MSE3 or :3MSE;style chemicals stick;color identity;select .A:270 or .A:271 or .A:272 or .A:273 or .A:274 or .A:276 or .A:277 or .A:278 or .A:279 or .A:280 or .A:282 or .A:284 or .A:286 or .A:287 or .A:288 or .A:289 or .A:303 or .A:316 or .A:334 or .A:339 or .A:340 or .A:366 or .A:367 or .A:368 or .A:369 or .A:371 or .A:372 or .A:380 or .A:381 or .A:382 or .A:383 or .A:385 or .A:386 or .A:393 or .A:399 or .A:400 or .A:401 or .A:402 or .A:404 or .A:405 or .A:406 or .A:407 or .A:408 or .A:412 or .A:413 or .A:414 or .A:415 or .A:416 or .A:418 or .A:419 or .A:420 or .A:421; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU270
4.842
LEU271
2.820
GLU272
3.306
HIS273
3.318
ILE274
1.325
ILE276
1.331
TYR277
3.324
ALA278
3.518
LYS279
2.851
ASN280
4.979
VAL282
4.087
ALA284
3.790
ARG286
3.538
CYS287
3.729
ALA288
3.425
LEU289
3.612
LEU303
4.172
PHE316
4.183
VAL334
3.571
GLU339
4.229
VAL340
4.004
ASN366
3.961
ILE367
3.391
LEU368
2.922
CYS369
1.341
PRO371
1.335
ILE372
3.998
GLY380
4.424
VAL381
3.489
VAL382
2.881
GLN383
1.326
VAL385
1.343
ASN386
4.363
PHE393
3.632
ASN399
3.085
ASN400
3.249
PHE401
3.169
LYS402
1.324
PHE404
1.353
ALA405
3.341
VAL406
3.260
PHE407
2.897
CYS408
3.835
LEU412
4.916
HIS413
2.919
CYS414
3.220
ALA415
3.108
ASN416
1.330
TYR418
1.338
HIS419
3.353
ARG420
3.235
ILE421
4.012
|
|||||
| Ligand Name: 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-ol | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A in complex with 2-methyl-5-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)et hyl]pyrazolo[1,5-a]pyrimidin-7-ol | PDB:5XUI | ||||
| Method | X-ray diffraction | Resolution | 2.77 Å | Mutation | No | [17] |
| PDB Sequence |
MSICTSEEWQ
457 GLMQFTLPVR467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK 507 LCRFIMSVKK517 NYRRVPYHNW527 KHAVTVAHCM537 YAILQNNHTL547 FTDLERKGLL 557 IACLCHDLDH567 RGFSNSYLQK577 FDHPLAALYS587 TSTMEQHHFS597 QTVSILQLEG 607 HNIFSTLSSS617 EYEQVLEIIR627 KAIIATDLAL637 YFGNRKQLEE647 MYQTGSLNLN 657 NQSHRDRVIG667 LMMTACDLCS677 VTKLWPVTKL687 TANDIYAEFW697 AEGDEMKKLG 707 IQPIPMMDRD717 KKDEVPQGQL727 GFYNAVAIPC737 YTTLTQILPP747 TEPLLKACRD 757 NLSQWEKVIR767 GE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8G3 or .8G32 or .8G33 or :38G3;style chemicals stick;color identity;select .A:524 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-3,7,8,10-tetrazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaen-6-ol | Ligand Info | |||||
| Structure Description | Crystal structure of PDE10A in complex with a triazolopyrimidine inhibitor | PDB:6KDZ | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [18] |
| PDB Sequence |
HMSICTSEEW
456 QGLMQFTLPV466 RLCKEIELFH476 FDIGPFENMW486 PGIFVYMVHR496 SCGTSCFELE 506 KLCRFIMSVK516 KNYRRVPYHN526 WKHAVTVAHC536 MYAILQNNHT546 LFTDLERKGL 556 LIACLCHDLD566 HRGFSNSYLQ576 KFDHPLAALY586 STSTMEQHHF596 SQTVSILQLE 606 GHNIFSTLSS616 SEYEQVLEII626 RKAIIATDLA636 LYFGNRKQLE646 EMYQTGSLNL 656 NNQSHRDRVI666 GLMMTACDLC676 SVTKLWPVTK686 LTANDIYAEF696 WAEGDEMKKL 706 GIQPIPMMDR716 DKKDEVPQGQ726 LGFYNAVAIP736 CYTTLTQILP746 PTEPLLKACR 756 DNLSQWEKVI766 RGEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D79 or .D792 or .D793 or :3D79;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(azetidine-1-carbonyl)-2-methyl-N-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}-2,5-dihydro-1H-pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 4-(azetidine-1-carbonyl)-2-methyl-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-3-carboxamide | PDB:5SFO | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ILZ or .ILZ2 or .ILZ3 or :3ILZ;style chemicals stick;color identity;select .A:524 or .A:525 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: ~{N}4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2-methyl-~{N}3-(2-phenyl-3~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-3,4-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-4-N-(1,3-oxazol-2-ylmethyl)-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-3,4-dicarboxamide | PDB:5SHN | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [213] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JI8 or .JI82 or .JI83 or :3JI8;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:685 or .A:688 or .A:689 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729 or .A:730; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR524
4.497
LEU635
3.849
LEU675
3.794
SER677
3.581
VAL678
3.484
THR685
3.068
THR688
3.602
ALA689
3.377
ILE692
3.609
TYR693
2.682
|
|||||
| Ligand Name: (5S)-5-(2-phenylethyl)[3,4'-bipyridin]-6(5H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 3-(2-phenylethyl)-5-pyridin-4-yl-1H-pyridin-2-one | PDB:5SJM | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [214] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K4L or .K4L2 or .K4L3 or :3K4L;style chemicals stick;color identity;select .A:524 or .A:635 or .A:674 or .A:675 or .A:677 or .A:678 or .A:689 or .A:692 or .A:693 or .A:696 or .A:713 or .A:726 or .A:729 or .A:730; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3,5-trimethyl-6-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}pyrazine | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2,3,5-trimethyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazine | PDB:5SEV | ||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IHV or .IHV2 or .IHV3 or :3IHV;style chemicals stick;color identity;select .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-methyl-3-{[(4R)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}quinoxaline | Ligand Info | |||||
| Structure Description | Crystal Structure of human phosphodiesterase 10 in complex with 2-methyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]quinoxaline | PDB:5SF9 | ||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | No | [33] |
| PDB Sequence |
GLMQFTLPVR
467 LCKEIELFHF477 DIGPFENMWP487 GIFVYMVHRS497 CGTSCFELEK507 LRFIMSVKKN 518 YRRVPYHNWK528 HAVTVAHCMY538 AILQNNHTLF548 TDLERKGLLI558 ACLCHDLDHR 568 GFSNSYLQKF578 DHPLAALYST588 STMEQHHFSQ598 TVSILQLEGH608 NIFSTLSSSE 618 YEQVLEIIRK628 AIIATDLALY638 FGNRKQLEEM648 YQTGSLNLNN658 QSHRDRVIGL 668 MMTACDLCSV678 TKLWPVTKLT688 ANDIYAEFWA698 EGDEMKKLGI708 QPIPMMDRDK 718 KDEVPQGQLG728 FYNAVAIPCY738 TTLTQILPPT748 EPLLKACRDN758 LSQWEKVIRG 768 EE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IJT or .IJT2 or .IJT3 or :3IJT;style chemicals stick;color identity;select .A:524 or .A:635 or .A:675 or .A:677 or .A:678 or .A:692 or .A:693 or .A:696 or .A:712 or .A:713 or .A:718 or .A:721 or .A:722 or .A:725 or .A:726 or .A:729; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Cross-linking of protein crystals as an aid in the generation of binary protein-ligand crystal complexes, exemplified by the human PDE10a-papaverine structure. Acta Crystallogr D Biol Crystallogr. 2009 Aug;65(Pt 8):872-4. | ||||
| REF 2 | Structural insight into substrate specificity of phosphodiesterase 10. Proc Natl Acad Sci U S A. 2007 Apr 3;104(14):5782-7. | ||||
| REF 3 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 4 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 5 | Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor. J Med Chem. 2014 Nov 26;57(22):9627-43. | ||||
| REF 6 | Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography. J Biomol Screen. 2014 Apr;19(4):497-507. | ||||
| REF 7 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 8 | Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis. J Med Chem. 2015 Oct 8;58(19):7888-94. | ||||
| REF 9 | Design, optimization, and biological evaluation of novel keto-benzimidazoles as potent and selective inhibitors of phosphodiesterase 10A (PDE10A). J Med Chem. 2013 Nov 14;56(21):8781-92. | ||||
| REF 10 | Discovery of clinical candidate 1-(4-(3-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyrazin-2-yl)piperidin-1-yl)ethanone (AMG 579), a potent, selective, and efficacious inhibitor of phosphodiesterase10A (PDE10A). J Med Chem. 2014 Aug 14;57(15):6632-41. | ||||
| REF 11 | Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility. Bioorg Med Chem. 2014 Dec 1;22(23):6570-6585. | ||||
| REF 12 | Highly potent, selective, and orally active phosphodiesterase 10A inhibitors. J Med Chem. 2011 Nov 10;54(21):7621-38. | ||||
| REF 13 | Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia. Bioorg Med Chem Lett. 2016 Jan 1;26(1):126-32. | ||||
| REF 14 | Novel triazines as potent and selective phosphodiesterase 10A inhibitors. Bioorg Med Chem Lett. 2012 Sep 15;22(18):5876-84. | ||||
| REF 15 | Addressing phototoxicity observed in a novel series of biaryl derivatives: discovery of potent, selective and orally active phosphodiesterase 10A inhibitor ASP9436. Bioorg Med Chem. 2015 Jul 1;23(13):3351-67. | ||||
| REF 16 | Design and synthesis of novel benzimidazole derivatives as phosphodiesterase 10A inhibitors with reduced CYP1A2 inhibition. Bioorg Med Chem. 2013 Dec 15;21(24):7612-23. | ||||
| REF 17 | Fragment-Based Discovery of Pyrimido[1,2-b]indazole PDE10A Inhibitors. Chem Pharm Bull (Tokyo). 2018;66(3):286-294. | ||||
| REF 18 | Synthesis, SAR study, and biological evaluation of novel 2,3-dihydro-1H-imidazo[1,2-a]benzimidazole derivatives as phosphodiesterase 10A inhibitors. Bioorg Med Chem. 2019 Aug 15;27(16):3692-3706. | ||||
| REF 19 | Novel benzimidazole derivatives as phosphodiesterase 10A (PDE10A) inhibitors with improved metabolic stability. Bioorg Med Chem. 2014 Jul 1;22(13):3515-26. | ||||
| REF 20 | Synthesis, SAR study, and biological evaluation of novel quinoline derivatives as phosphodiesterase 10A inhibitors with reduced CYP3A4 inhibition. Bioorg Med Chem. 2015 Jan 15;23(2):297-313. | ||||
| REF 21 | Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties. J Med Chem. 2017 Apr 27;60(8):3472-3483. | ||||
| REF 22 | Discovery of 4-hydroxy-1,6-naphthyridine-3-carbonitrile derivatives as novel PDE10A inhibitors. Bioorg Med Chem Lett. 2012 Mar 1;22(5):1944-8. | ||||
| REF 23 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 24 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 25 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 26 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 27 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 28 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 29 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 30 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 31 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 32 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 33 | A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J Comput Aided Mol Des. 2022 Oct;36(10):753-765. | ||||
| REF 34 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 35 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 36 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 37 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 38 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 39 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 40 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 41 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 42 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 43 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 44 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 45 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 46 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 47 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 48 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 49 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 50 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 51 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 52 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 53 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 54 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 55 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 56 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 57 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 58 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 59 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 60 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 61 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 62 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 63 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 64 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 65 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 66 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 67 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 68 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 69 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 70 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 71 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 72 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 73 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 74 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 75 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 76 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 77 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 78 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 79 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 80 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 81 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 82 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 83 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 84 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 85 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 86 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 87 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 88 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 89 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 90 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 91 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 92 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 93 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 94 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 95 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 96 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 97 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 98 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 99 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 100 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 101 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 102 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 103 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 104 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 105 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 106 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 107 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 108 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 109 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 110 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 111 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 112 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 113 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 114 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 115 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 116 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 117 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 118 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 119 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 120 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 121 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 122 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 123 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 124 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 125 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 126 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 127 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 128 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 129 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 130 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 131 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 132 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 133 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 134 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 135 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 136 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 137 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 138 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 139 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 140 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 141 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 142 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 143 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 144 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 145 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 146 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 147 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 148 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 149 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 150 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 151 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 152 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 153 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 154 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 155 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 156 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 157 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 158 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 159 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 160 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 161 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 162 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 163 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 164 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 165 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 166 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 167 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 168 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 169 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 170 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 171 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 172 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 173 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 174 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 175 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 176 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 177 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 178 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 179 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 180 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 181 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 182 | Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors. J Med Chem. 2019 Apr 11;62(7):3707-3721. | ||||
| REF 183 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 184 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 185 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 186 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 187 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 188 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 189 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 190 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 191 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 192 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 193 | Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3738-42. | ||||
| REF 194 | Design and synthesis of a novel 2-oxindole scaffold as a highly potent and brain-penetrant phosphodiesterase 10A inhibitor. Bioorg Med Chem. 2015 Nov 15;23(22):7138-49. | ||||
| REF 195 | Discovery of potent, selective, and metabolically stable 4-(pyridin-3-yl)cinnolines as novel phosphodiesterase 10A (PDE10A) inhibitors. Bioorg Med Chem Lett. 2012 Mar 15;22(6):2262-5. | ||||
| REF 196 | Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A). ACS Med Chem Lett. 2014 Mar 28;5(6):700-5. | ||||
| REF 197 | Design and synthesis of potent and selective pyridazin-4(1H)-one-based PDE10A inhibitors interacting with Tyr683 in the PDE10A selectivity pocket. Bioorg Med Chem. 2016 Aug 15;24(16):3447-55. | ||||
| REF 198 | The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia. Bioorg Med Chem Lett. 2012 Jan 15;22(2):1019-22. | ||||
| REF 199 | Discovery of a potent, selective, and orally active phosphodiesterase 10A inhibitor for the potential treatment of schizophrenia. J Med Chem. 2014 May 22;57(10):4196-212. | ||||
| REF 200 | Discovery of orally active pyrazoloquinolines as potent PDE10 inhibitors for the management of schizophrenia. Bioorg Med Chem Lett. 2012 Jan 1;22(1):235-9. | ||||
| REF 201 | Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors. Bioorg Med Chem Lett. 2019 Feb 1;29(3):406-412. | ||||
| REF 202 | Identification and Structural Characterization of Pde10 Fragment Inhibitors | ||||
| REF 203 | Identification and Structural Characterization of Pde10 Fragment Inhibitors | ||||
| REF 204 | Identification and Structural Characterization of Pde10 Fragment Inhibitors | ||||
| REF 205 | Absolute Binding Free Energy Calculation and Design of a Subnanomolar Inhibitor of Phosphodiesterase-10. J Med Chem. 2019 Feb 28;62(4):2099-2111. | ||||
| REF 206 | Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension. Acta Pharm Sin B. 2020 Dec;10(12):2339-2347. | ||||
| REF 207 | Evolution and synthesis of novel orally bioavailable inhibitors of PDE10A. Bioorg Med Chem Lett. 2015 May 1;25(9):1864-8. | ||||
| REF 208 | Discovery and Optimization of Chromone Derivatives as Novel Selective Phosphodiesterase 10 Inhibitors. ACS Chem Neurosci. 2020 Apr 1;11(7):1058-1071. | ||||
| REF 209 | A Real-World Perspective on Molecular Design. J Med Chem. 2016 May 12;59(9):4087-102. | ||||
| REF 210 | Discovery of selective biaryl ethers as PDE10A inhibitors: improvement in potency and mitigation of Pgp-mediated efflux. Bioorg Med Chem Lett. 2012 Dec 15;22(24):7371-5. | ||||
| REF 211 | Discovery of novel potent imidazo[1,2-b]pyridazine PDE10a inhibitors. Bioorg Med Chem Lett. 2016 Sep 1;26(17):4216-22. | ||||
| REF 212 | Crystal structure of the GAF-B domain from human phosphodiesterase 10A complexed with its ligand, cAMP. J Biol Chem. 2008 Jul 11;283(28):19657-64. | ||||
| REF 213 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
| REF 214 | Crystal Structure of a human phosphodiesterase 10 complex | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.