Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T99089 | Target Info | |||
| Target Name | Serine/threonine-protein kinase B-raf (BRAF) | ||||
| Synonyms | V-Raf murine sarcoma viral oncogene homolog B1; RAFB1; Proto-oncogene B-Raf; P94; BRAF1; BRAF(V599E); BRAF serine/threonine kinase; B-raf protein; B-Raf | ||||
| Target Type | Successful Target | ||||
| Gene Name | BRAF | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Ponatinib | Ligand Info | |||||
| Structure Description | The co-crystal structure of BRAF(V600E) with ponatinib | PDB:6P3D | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [1] |
| PDB Sequence |
KMDDWEIPDG
455 QITVGQRIGS465 GSFGTVYKGK475 WHGDVAVKML485 NVTAPTPQQL495 QAFKNEVGVL 505 RKTRHVNILL515 FMGYSTKPQL525 AIVTQWCEGS535 SLYHHLHASE545 TKFEMKKLID 555 IARQTARGMD565 YLHAKSIIHR575 DLKSNNIFLH585 EDNTVKIGDF595 GLATESGSIL 618 WMAPEVIRMQ628 DSNPYSFQSD638 VYAFGIVLYE648 LMTGQLPYSN658 INNRDQIIEM 668 VGRGSLSPDL678 SKVRSNCPKR688 MKRLMAECLK698 KKRDERPSFP708 RILAEIEELA 718 RELS
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ILE463
3.957
VAL471
3.653
ALA481
3.280
VAL482
3.769
LYS483
3.415
GLU501
2.724
VAL504
4.004
LEU505
3.612
THR508
4.350
ILE513
3.549
LEU514
3.237
ILE527
3.616
VAL528
4.920
THR529
3.392
GLN530
3.300
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| Ligand Name: Dabrafenib | Ligand Info | |||||
| Structure Description | B-Raf Kinase V600E oncogenic mutant in complex with Dabrafenib | PDB:4XV2 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [2] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVP490 TPQQLQAFKN500 EVGVLRKTRH 510 VNILLFMGYS520 TKPQLAIVTQ530 WCEGSSLYHH540 LHASETKFEM550 KKLIDIARQT 560 ARGMDYLHAK570 SIIHRDLKSN580 NIFLHEDNTV590 KIGDFGGSIL618 WMAPEVIRPY 633 SFQSDVYAFG643 IVLYELMTGQ653 LPYSNINNRD663 QIIEMVGRGS673 LSPDLSKVRS 683 NCPKRMKRLM693 AECLKKKRDE703 RPSFPRILAE713 IEELARE
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ILE463
4.245
GLY464
3.646
SER465
3.673
GLY466
3.826
PHE468
3.667
VAL471
3.304
ALA481
3.614
LYS483
2.878
LEU505
3.291
THR508
4.773
ILE513
4.611
LEU514
3.116
LEU515
4.412
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Vemurafenib | Ligand Info | |||||
| Structure Description | B-Raf Kinase V600E oncogenic mutant in complex with PLX4032 | PDB:3OG7 | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | Yes | [3] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTAPQLAIV528 TQWCEGSSLY538 HHLHASFEMK551 KLIDIARQTA 561 RGMDYLHAKS571 IIHRDLKSNN581 IFLHEDNTVK591 IGDFGGSILW619 MAPEVIRNPY 633 SFQSDVYAFG643 IVLYELMTGQ653 LPYSNINNRD663 QIIEMVGRGS673 LSPDLSKVRS 683 NCPKRMKRLM693 AECLKKKRDE703 RPSFPRILAE713 IEELARE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .032 or .0322 or .0323 or :3032;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:514 or .A:515 or .A:516 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:534 or .A:535 or .A:536 or .A:583 or .A:593 or .A:594 or .A:595 or .A:596; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE463
3.733
VAL471
3.645
ALA481
3.148
VAL482
4.226
LYS483
3.597
LEU505
3.471
LEU514
3.188
LEU515
4.461
PHE516
4.102
ILE527
3.905
THR529
3.078
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Sorafenib | Ligand Info | |||||
| Structure Description | BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib | PDB:5HI2 | ||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | Yes | [4] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLTPQ493 QLQAFKNEVG503 VLRKTRHVNI 513 LLFMGYSTKP523 QLAIVTQWCE533 GSSLYHHLHA543 SETKFEMKKL553 IDIARQTARG 563 MDYLHAKSII573 HRDLKSNNIF583 LHEDNTVKIG593 DFGLSILWMA621 PEVIRMNPYS 634 FQSDVYAFGI644 VLYELMTGQL654 PYSNINNRDQ664 IIEMVGRGSL674 SPDLSKVRSN 684 CPKRMKRLMA694 ECLKKKRDER704 PSFPRILAEI714 EELAREL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BAX or .BAX2 or .BAX3 or :3BAX;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:529 or .A:530 or .A:531 or .A:532 or .A:533 or .A:534 or .A:567 or .A:572 or .A:573 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE463
3.925
VAL471
3.548
ALA481
3.349
LYS483
3.839
GLU501
2.729
VAL504
3.717
LEU505
3.383
THR508
4.050
ILE513
3.383
LEU514
3.505
THR529
3.428
GLN530
3.354
TRP531
3.728
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Trametinib | Ligand Info | |||||
| Structure Description | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Trametinib | PDB:7M0Y | ||||
| Method | X-ray diffraction | Resolution | 3.45 Å | Mutation | Yes | [5] |
| PDB Sequence |
SDDWEIPDGQ
456 ITVGQRIGSG466 SFGTVYKGKW476 HGDVAVKMLN486 VTAPTPQQLQ496 AFKNEVGVLR 506 KTRHVNILLF516 MGYSTKPQLA526 IVTQWCEGSS536 LYHHLHIIET546 KFEMIKLIDI 556 ARQTAQGMDY566 LHAKSIIHRD576 LKSNNIFLHE586 DLTVKIGDFG596 LATVKSRWSG 606 SHQFEQLSGS616 ILWMAPEVIR626 MQDKNPYSFQ636 SDVYAFGIVL646 YELMTGQLPY 656 SNINNRDQII666 FMVGRGYLSP676 DLSKVRSNCP686 KAMKRLMAEC696 LKKKRDERPL 706 FPQILASIEL716 LARSL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QOM or .QOM2 or .QOM3 or :3QOM;style chemicals stick;color identity;select .A:660 or .A:661 or .A:662; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cotellic | Ligand Info | |||||
| Structure Description | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Cobimetinib | PDB:7M0V | ||||
| Method | X-ray diffraction | Resolution | 3.16 Å | Mutation | Yes | [5] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTKPQLAIV528 TQWCEGSSLY538 HHLHIIETKF548 EMIKLIDIAR 558 QTAQGMDYLH568 AKSIIHRDLK578 SNNIFLHEDL588 TVKIGDFGLA598 TVKSRWSGSH 608 QFEQLSGSIL618 WMAPEVIRMQ628 DKNPYSFQSD638 VYAFGIVLYE648 LMTGQLPYSN 658 INNRDQIIFM668 VGRGYLSPDL678 SKVRSNCPKA688 MKRLMAECLK698 KKRDERPLFP 708 QILASIELLA718 RSLP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EUI or .EUI2 or .EUI3 or :3EUI;style chemicals stick;color identity;select .A:662; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Rigosertib | Ligand Info | |||||
| Structure Description | Solution structure of Ras Binding Domain (RBD) of B-Raf complexed with Rigosertib (Complex I) | PDB:5J18 | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [6] |
| PDB Sequence |
SPQKPIVRVF
160 LPNKQRTVVP170 ARCGVTVRDS180 LKKALMMRGL190 IPECCAVYRI200 QDGEKKPIGW 210 DTDISWLTGE220 ELHVEVLENV230 PL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6FS or .6FS2 or .6FS3 or :36FS;style chemicals stick;color identity;select .A:154 or .A:155 or .A:156 or .A:158 or .A:161 or .A:165 or .A:166 or .A:167 or .A:168 or .A:169 or .A:170 or .A:183 or .A:184 or .A:187 or .A:188; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: BGB-283 | Ligand Info | |||||
| Structure Description | The complex structure of Braf V600E kinase domain with a novel Braf inhibitor | PDB:4R5Y | ||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | Yes | [7] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTKPQLAIV528 TQWCEGSSLY538 HHLHASETKF548 EMKKLIDIAR 558 QTARGMDYLH568 AKSIIHRDLK578 SNNIFLHEDN588 TVKIGDFGSI617 LWMAPEVIRM 627 QDSNPYSFQS637 DVYAFGIVLY647 ELMTGQLPYS657 NINNRDQIIE667 MVGRGSLSPD 677 LSKVRSNCPK687 RMKRLMAECL697 KKKRDERPSF707 PRILAEIEEL717 ARE |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3K3 or .3K32 or .3K33 or :33K3;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:534 or .A:567 or .A:572 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE463
3.553
VAL471
3.404
ALA481
3.450
VAL482
4.172
LYS483
3.450
GLU501
3.032
VAL504
4.033
LEU505
3.398
THR508
4.059
ILE513
3.402
LEU514
3.643
ILE527
3.595
THR529
3.566
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| Ligand Name: RO-5126766 | Ligand Info | |||||
| Structure Description | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and CH5126766 | PDB:7M0Z | ||||
| Method | X-ray diffraction | Resolution | 3.12 Å | Mutation | Yes | [5] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTKPQLAIV528 TQWCEGSSLY538 HHLHIIETKF548 EMIKLIDIAR 558 QTAQGMDYLH568 AKSIIHRDLK578 SNNIFLHEDL588 TVKIGDFGLA598 TVKSRWSGSH 608 QFEQLSGSIL618 WMAPEVIRMQ628 DKNPYSFQSD638 VYAFGIVLYE648 LMTGQLPYSN 658 INNRDQIIFM668 VGRGYLSPDL678 SKVRSNCPKA688 MKRLMAECLK698 KKRDERPLFP 708 QILASIELLA718 RSL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CHU or .CHU2 or .CHU3 or :3CHU;style chemicals stick;color identity;select .A:660 or .A:661 or .A:662; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: MLN2480 | Ligand Info | |||||
| Structure Description | Crystal structure of BRAF V600E oncogenic mutant in complex with TAK-580 | PDB:6V34 | ||||
| Method | X-ray diffraction | Resolution | 3.15 Å | Mutation | Yes | [8] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLTAP490 TPQQLQAFKN500 EVGVLRKTRH 510 VNILLFMGYS520 TKPQLAIVTQ530 WCEGSSLYHH540 LHASETKFEM550 KKLIDIARQT 560 ARGMDYLHAK570 SIIHRDLKSN580 NIFLHEDNTV590 KIGDFGLATS614 GSILWMAPEV 624 IRMQPYSFQS637 DVYAFGIVLY647 ELMTGQLPYS657 NINNRDQIIE667 MVGRGSLSPD 677 LSKVRSNCPK687 RMKRLMAECL697 KKKRDERPSF707 PRILAEIEEL717 ARELSG |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QOP or .QOP2 or .QOP3 or :3QOP;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:567 or .A:572 or .A:573 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE463
3.887
VAL471
3.818
ALA481
3.428
VAL482
3.998
LYS483
3.291
GLU501
2.938
VAL504
3.932
LEU505
3.519
THR508
4.147
ILE513
3.868
LEU514
3.632
ILE527
3.413
THR529
3.094
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| Ligand Name: RAF265 | Ligand Info | |||||
| Structure Description | BRAF in Complex with RAF265 | PDB:5CT7 | ||||
| Method | X-ray diffraction | Resolution | 3.17 Å | Mutation | No | [9] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTKPQLAIV528 TQWCEGSSLY538 HHLHIIETKF548 EMIKLIDIAR 558 QTAQGMDYLH568 AKSIIHRDLK578 SNNIFLHEDL588 TVKIGDFGLA598 GSILWMAPEV 624 IRMQDKNPYS634 FQSDVYAFGI644 VLYELMTGQL654 PYSNINNRDQ664 IIFMVGRGYL 674 SPDLSKVRSN684 CPKAMKRLMA694 ECLKKKRDER704 PLFPQILASI714 ELLARSL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .55J or .55J2 or .55J3 or :355J;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:533 or .A:534 or .A:567 or .A:572 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE463
3.351
VAL471
3.660
ALA481
3.342
VAL482
4.814
LYS483
3.551
GLU501
2.877
VAL504
3.874
LEU505
3.720
THR508
3.814
ILE513
3.335
LEU514
3.406
ILE527
3.589
THR529
3.619
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| Ligand Name: LY3009120 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND | PDB:5C9C | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [10] |
| PDB Sequence |
DWEIPDGQIT
457 VGQRIGSGSF467 GTVYKGKWHG477 DVAVKMLNAP489 TPQQLQAFKN499 EVGVLRKTRH 509 VNILLFMGYS519 TKPQLAIVTQ529 WCEGSSLYHH539 LHIIETKFEM549 IKLIDIARQT 559 AQGMDYLHAK569 SIIHRDLKSN579 NIFLHEDLTV589 KIGDFGLATS615 ILWMAPEVIR 625 MQDKNPYSFQ635 SDVYAFGIVL645 YELMTGQLPY655 SNINNRDQII665 FMVGRGYLSP 675 DLSKVRSNCP685 KAMKRLMAEC695 LKKKRDERPL705 FPQILASIEL715 LARS |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4Z5 or .4Z52 or .4Z53 or :34Z5;style chemicals stick;color identity;select .A:462 or .A:470 or .A:480 or .A:481 or .A:482 or .A:500 or .A:503 or .A:504 or .A:507 or .A:512 or .A:513 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:566 or .A:571 or .A:573 or .A:582 or .A:591 or .A:592 or .A:593 or .A:594 or .A:595; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE462
4.654
VAL470
3.814
ALA480
3.354
VAL481
3.992
LYS482
3.621
GLU500
2.576
VAL503
4.023
LEU504
3.340
THR507
4.300
ILE512
4.298
LEU513
3.292
ILE526
3.420
VAL527
4.948
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| Ligand Name: Belvarafenib | Ligand Info | |||||
| Structure Description | Crystal Structure of BRAF kinase domain bound to Belvarafenib | PDB:6XFP | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [11] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTKPQLAIV528 TQWCEGSSLY538 KHLHASETKF548 EMKKLIDIAR 558 QTARGMDYLH568 AKSIIHRDLK578 SNNIFLHEDN588 TVKIGDFGLA598 TVKSRWSGSH 608 QFEQLSGSIL618 WMAPEVIRMQ628 DSNPYSFQSD638 VYAFGIVLYE648 LMTGQLPYSN 658 INNRDQIIEM668 VGRGSLSPDL678 SKVRSNCPKR688 MKRLMAECLK698 KKRDERPSFP 708 RILAEIEELA718 RE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V1Y or .V1Y2 or .V1Y3 or :3V1Y;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:513 or .A:514 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:567 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:597; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE463
3.984
VAL471
3.760
ALA481
3.336
VAL482
3.869
LYS483
3.440
GLU501
2.887
VAL504
4.846
LEU505
3.326
ILE513
4.082
LEU514
3.331
ILE527
3.576
VAL528
4.823
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| Ligand Name: PLX-4720 | Ligand Info | |||||
| Structure Description | B-Raf Kinase in Complex with PLX4720 | PDB:3C4C | ||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | Yes | [12] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHASETK547 FEMKKLIDIA 557 RQTARGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 NTVKIGDFGS614 GSILWMAPEV 624 IRMQDSNPYS634 FQSDVYAFGI644 VLYELMTGQL654 PYSNINNRDQ664 IIEMVGRGSL 674 SPDLSKVRSN684 CPKRMKRLMA694 ECLKKKRDER704 PSFPRILAEI714 EELARELS |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .324 or .3242 or .3243 or :3324;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:508 or .A:514 or .A:515 or .A:516 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:583 or .A:593 or .A:594 or .A:595 or .A:596; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE463
3.658
VAL471
3.656
ALA481
3.371
VAL482
3.946
LYS483
3.414
LEU505
3.526
THR508
4.763
LEU514
3.425
LEU515
4.708
PHE516
3.867
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: LXH254 | Ligand Info | |||||
| Structure Description | BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254) | PDB:6N0P | ||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | No | [13] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTKPQLAIV528 TQWCEGSSLY538 HHLHIIETKF548 EMIKLIDIAR 558 QTAQGMDYLH568 AKSIIHRDLK578 SNNIFLHEDL588 TVKIGDFGLA598 TVKSRWSEQL 613 SGSILWMAPE623 VIRMQDKNPY633 SFQSDVYAFG643 IVLYELMTGQ653 LPYSNINNRD 663 QIIFMVGRGY673 LSPDLSKVRS683 NCPKAMKRLM693 AECLKKKRDE703 RPLFPQILAS 713 IELLARSL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K81 or .K812 or .K813 or :3K81;style chemicals stick;color identity;select .A:463 or .A:464 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:567 or .A:572 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596 or .A:597; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE463
3.747
GLY464
4.232
VAL471
3.559
ALA481
3.560
VAL482
3.889
LYS483
3.593
GLU501
2.800
VAL504
3.729
LEU505
3.627
THR508
4.777
ILE513
4.693
LEU514
3.559
ILE527
3.659
THR529
3.458
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|||||
| Ligand Name: G-573 | Ligand Info | |||||
| Structure Description | Crystal structure of the BRAF:MEK1 complex | PDB:4MNE | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [14] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGGTVY472 KGKWHGDVAV482 KMLNVTAPTP492 QQLQAFKNEV502 GVLRKTRHVN 512 ILLFMGYSTK522 PQLAIVTQWC532 EGSSLYHHLH542 IIETKFEMIK552 LIDIARQTAQ 562 GMDYLHAKSI572 IHRDLKSNNI582 FLHEDLTVKI592 GDFGLATVKS602 RWSGSHQFEQ 612 LSGSILWMAP622 EVIRMQDKNP632 YSFQSDVYAF642 GIVLYELMTG652 QLPYSNINNR 662 DQIIFMVGRG672 YLSPDLSKVR682 SNCPKAMKRL692 MAECLKKKRD702 ERPLFPQILA 712 SIELLARSLP722
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .573 or .5732 or .5733 or :3573;style chemicals stick;color identity;select .B:662; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: L-betagamma-meATP | Ligand Info | |||||
| Structure Description | Crystal structure of the BRAF:MEK1 complex | PDB:4MNE | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [14] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGGTVY472 KGKWHGDVAV482 KMLNVTAPTP492 QQLQAFKNEV502 GVLRKTRHVN 512 ILLFMGYSTK522 PQLAIVTQWC532 EGSSLYHHLH542 IIETKFEMIK552 LIDIARQTAQ 562 GMDYLHAKSI572 IHRDLKSNNI582 FLHEDLTVKI592 GDFGLATVKS602 RWSGSHQFEQ 612 LSGSILWMAP622 EVIRMQDKNP632 YSFQSDVYAF642 GIVLYELMTG652 QLPYSNINNR 662 DQIIFMVGRG672 YLSPDLSKVR682 SNCPKAMKRL692 MAECLKKKRD702 ERPLFPQILA 712 SIELLARSLP722
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ACP or .ACP2 or .ACP3 or :3ACP;style chemicals stick;color identity;select .B:662; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | BRAF dimer bound to 14-3-3 | PDB:6U2H | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [15] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHASETK547 FEMKKLIDIA 557 RQTARGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 NTVKIGDFGL597 ATVKSRGSIL 618 WMAPEVIRMQ628 DSNPYSFQSD638 VYAFGIVLYE648 LMTGQLPYSN658 INNRDQIIEM 668 VGRGSLSPDL678 SKVRSNCPKR688 MKRLMAECLK698 KKRDERPSFP708 RILAEIEELA 718 RELPKIHRSA728 EPSL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .C:727 or .C:728 or .C:730 or .C:731; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Doramapimod | Ligand Info | |||||
| Structure Description | B-Raf Kinase in Complex with Birb796 | PDB:4JVG | ||||
| Method | X-ray diffraction | Resolution | 3.09 Å | Mutation | Yes | [16] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHASETK547 FEMKKLIDIA 557 RQTARGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 NTVKIGDFGL597 ATSILWMAPE 623 VIRMQDSNPY633 SFQSDVYAFG643 IVLYELMTGQ653 LPYSNINNRD663 QIIEMVGRGS 673 LSPDLSKVRS683 NCPKRMKRLM693 AECLKKKRDE703 RPSFPRILAE713 IEELARELS |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B96 or .B962 or .B963 or :3B96;style chemicals stick;color identity;select .B:463 or .B:471 or .B:481 or .B:482 or .B:483 or .B:497 or .B:500 or .B:501 or .B:504 or .B:505 or .B:508 or .B:513 or .B:514 or .B:527 or .B:528 or .B:529 or .B:530 or .B:531 or .B:532 or .B:567 or .B:572 or .B:574 or .B:583 or .B:592 or .B:593 or .B:594 or .B:595; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE463
4.547
VAL471
3.837
ALA481
3.560
VAL482
3.893
LYS483
3.360
ALA497
3.765
ASN500
4.676
GLU501
2.902
VAL504
3.526
LEU505
4.138
THR508
4.692
ILE513
4.532
LEU514
3.747
ILE527
3.236
|
|||||
| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and PD0325901 | PDB:7M0X | ||||
| Method | X-ray diffraction | Resolution | 2.47 Å | Mutation | Yes | [5] |
| PDB Sequence |
SDDWEIPDGQ
456 ITVGQRIGSG466 SFGTVYKGKW476 HGDVAVKMLN486 VTAPTPQQLQ496 AFKNEVGVLR 506 KTRHVNILLF516 MGYSTKPQLA526 IVTQWCEGSS536 LYHHLHIIET546 KFEMIKLIDI 556 ARQTAQGMDY566 LHAKSIIHRD576 LKSNNIFLHE586 DLTVKIGDFG596 LATVKSRWSG 606 SHQFEQLSGS616 ILWMAPEVIR626 MQDKNPYSFQ636 SDVYAFGIVL646 YELMTGQLPY 656 SNINNRDQII666 FMVGRGYLSP676 DLSKVRSNCP686 KAMKRLMAEC696 LKKKRDERPL 706 FPQILASIEL716 LARSLP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .A:463 or .A:464 or .A:465 or .A:466 or .A:467 or .A:468 or .A:469 or .A:470 or .A:471 or .A:481 or .A:483 or .A:514 or .A:529 or .A:530 or .A:531 or .A:532 or .A:536 or .A:539 or .A:576 or .A:578 or .A:580 or .A:581 or .A:583 or .A:594; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE463
3.511
GLY464
3.657
SER465
3.736
GLY466
3.117
SER467
2.641
PHE468
3.797
GLY469
3.616
THR470
4.998
VAL471
3.482
ALA481
3.541
LYS483
2.784
LEU514
3.535
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: AZ-628 | Ligand Info | |||||
| Structure Description | BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628 | PDB:5HID | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [4] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLTPQ493 QLQAFKNEVG503 VLRKTRHVNI 513 LLFMGYSTKP523 QLAIVTQWCE533 GSSLYHHLHA543 SETKFEMKKL553 IDIARQTARG 563 MDYLHAKSII573 HRDLKSNNIF583 LHEDNTVKIG593 DFGLAEQLSG615 SILWMAPEVI 625 RMQDSNPYSF635 QSDVYAFGIV645 LYELMTGQLP655 YSNINNRDQI665 IEMVGRGSLS 675 PDLSKVRSNC685 PKRMKRLMAE695 CLKKKRDERP705 SFPRILAEIE715 ELARELS |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B1E or .B1E2 or .B1E3 or :3B1E;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:567 or .A:572 or .A:573 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE463
3.665
VAL471
3.860
ALA481
3.414
VAL482
3.943
LYS483
3.600
GLU501
2.756
VAL504
3.696
LEU505
3.783
THR508
4.691
ILE513
4.383
LEU514
3.628
ILE527
3.766
THR529
3.244
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Benzamidine | Ligand Info | |||||
| Structure Description | BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-3-VEM | PDB:5JSM | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | Yes | [17] |
| PDB Sequence |
SEFDDWEIPD
454 GQITVGQRIG464 SGSFGTVYKG474 KWHGDVAVKM484 LNVTAPTPQQ494 LQAFKNEVGV 504 LRKTRHVNIL514 LFMGYSTKPQ524 LAIVTQWCEG534 SSLYHHLHAS544 ETKFEMKKLI 554 DIARQTARGM564 DYLHAKSIIH574 RDLKSNNIFL584 HEDNTVKIGD594 FGLATEKSGS 616 ILWMAPEVIR626 MQDSNPYSFQ636 SDVYAFGIVL646 YELMTGQLPY656 SNINNRDQII 666 EMVGRGSLSP676 DLSKVRSNCP686 KRMKRLMAEC696 LKKKRDERPS706 FPRILAEIEE 716 LAREL
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BEN or .BEN2 or .BEN3 or :3BEN;style chemicals stick;color identity;select .A:449 or .A:450 or .A:476 or .A:509 or .A:515 or .A:516 or .A:517 or .A:518; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Phosphothiophosphoric acid-adenylate ester | Ligand Info | |||||
| Structure Description | Structure of a MAPK pathway complex | PDB:6NYB | ||||
| Method | Electron microscopy | Resolution | 4.10 Å | Mutation | Yes | [18] |
| PDB Sequence |
TTHNFVRKTF
242 FTLAFCDFCR252 KLLFQGFRCQ262 TCGYKFHQRC272 STEVPLMCVR360 DRSSAPNVHD 449 WEIPDGQITV459 GQRIGSGSFG469 TVYKGKWHGD479 VAVKMLNVTA489 PTPQQLQAFK 499 NEVGVLRKTR509 HVNILLFMGY519 STKPQLAIVT529 QWCEGSSLYH539 HLHIIETKFE 549 MIKLIDIARQ559 TAQGMDYLHA569 KSIIHRDLKS579 NNIFLHEDLT589 VKIGDFGLAT 599 VKSRWSGSHQ609 FEQLSGSILW619 MAPEVIRMQD629 KNPYSFQSDV639 YAFGIVLYEL 649 MTGQLPYSNI659 NNRDQIIFMV669 GRGYLSPDLS679 KVRSNCPKAM689 KRLMAECLKK 699 KRDERPLFPQ709 ILASIELLAR719 SLPKIHRSAE730 PSLNRAGF
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AGS or .AGS2 or .AGS3 or :3AGS;style chemicals stick;color identity;select .A:463 or .A:464 or .A:465 or .A:466 or .A:467 or .A:468 or .A:469 or .A:470 or .A:471 or .A:481 or .A:483 or .A:514 or .A:529 or .A:530 or .A:531 or .A:532 or .A:576 or .A:578 or .A:580 or .A:581 or .A:583 or .A:594; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE463
3.124
GLY464
3.612
SER465
3.489
GLY466
3.185
SER467
2.963
PHE468
3.092
GLY469
3.702
THR470
4.961
VAL471
3.541
ALA481
3.213
LYS483
3.076
|
|||||
| Ligand Name: 5-chloro-7-[(R)-furan-2-yl(pyridin-2-ylamino)methyl]quinolin-8-ol | Ligand Info | |||||
| Structure Description | BRAF in complex with an organic inhibitor 7898734 | PDB:4E26 | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [19] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVKSRFEQL 613 SGSILWMAPE623 VIRMQDKNPY633 SFQSDVYAFG643 IVLYELMTGQ653 LPYSNINNRD 663 QIIFMVGRGY673 LSPDLSKVRS683 NCPKAMKRLM693 AECLKKKRDE703 RPLFPQILAS 713 IELLARSLPK723
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .734 or .7342 or .7343 or :3734;style chemicals stick;color identity;select .A:463 or .A:464 or .A:465 or .A:471 or .A:481 or .A:514 or .A:529 or .A:530 or .A:531 or .A:532 or .A:534 or .A:535 or .A:536 or .A:539 or .A:580 or .A:583 or .A:594; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | Ligand Info | |||||
| Structure Description | Pyrazole-based inhibitors of B-Raf kinase | PDB:3D4Q | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [20] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVLSGSILW 619 MAPEVIRMQD629 KNPYSFQSDV639 YAFGIVLYEL649 MTGQLPYSNI659 NNRDQIIFMV 669 GRGYLSPDLS679 KVRSNCPKAM689 KRLMAECLKK699 KRDERPLFPQ709 ILASIELLAR 719 SLPK
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SM5 or .SM52 or .SM53 or :3SM5;style chemicals stick;color identity;select .A:463 or .A:464 or .A:465 or .A:466 or .A:467 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:583 or .A:594 or .A:595 or .A:596; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE463
3.355
GLY464
3.547
SER465
3.264
GLY466
4.552
SER467
4.870
VAL471
3.456
ALA481
3.601
VAL482
4.659
LYS483
2.755
GLU501
2.085
|
|||||
| Ligand Name: 2-Chloro-5-{[2-(Pyrimidin-2-Yl)furo[2,3-C]pyridin-3-Yl]amino}phenol | Ligand Info | |||||
| Structure Description | Crystal Structure of Human B-Raf Kinase Domain in Complex with a Non-Oxime Furopyridine Inhibitor | PDB:3PRF | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [21] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVGSILWMA 621 PEVIRMQDKN631 PYSFQSDVYA641 FGIVLYELMT651 GQLPYSNINN661 RDQIIFMVGR 671 GYLSPDLSKV681 RSNCPKAMKR691 LMAECLKKKR701 DERPLFPQIL711 ASIELLARSL 721 PK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FP3 or .FP32 or .FP33 or :3FP3;style chemicals stick;color identity;select .A:463 or .A:464 or .A:465 or .A:471 or .A:481 or .A:483 or .A:501 or .A:505 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:583 or .A:593 or .A:594 or .A:595; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-[(5-Hydroxynaphthalen-2-Yl)amino]-N-(Pyrimidin-4-Yl)furo[2,3-C]pyridine-2-Carboxamide | Ligand Info | |||||
| Structure Description | Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor | PDB:3PPK | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [21] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVGSILWMA 621 PEVIRMQDKN631 PYSFQSDVYA641 FGIVLYELMT651 GQLPYSNINN661 RDQIIFMVGR 671 GYLSPDLSKV681 RSNCPKAMKR691 LMAECLKKKR701 DERPLFPQIL711 ASIELLARSL 721 PK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FNI or .FNI2 or .FNI3 or :3FNI;style chemicals stick;color identity;select .A:463 or .A:464 or .A:465 or .A:466 or .A:467 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:514 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:535 or .A:539 or .A:583 or .A:593 or .A:594 or .A:595 or .A:596; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.877
GLY464
4.327
SER465
4.182
GLY466
4.965
SER467
4.828
VAL471
3.479
ALA481
3.529
VAL482
4.652
LYS483
2.781
GLU501
2.582
LEU514
4.025
ILE527
3.521
|
|||||
| Ligand Name: [(1,2,3,4,5,6-Eta)-(1s,2r,3r,4r,5s,6s)-1-Carboxycyclohexane-1,2,3,4,5,6-Hexayl](Chloro)(3-Methyl-5,7-Dioxo-6,7-Dihydro-5h-Pyrido[2,3-A]pyrrolo[3,4-C]carbazol-12-Ide-Kappa~2~n~1~,N~12~)ruthenium(1+) | Ligand Info | |||||
| Structure Description | Crystal Structure of Wild Type BRAF kinase domain in complex with organometallic inhibitor CNS292 | PDB:3Q4C | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [22] |
| PDB Sequence |
DDWEIPDGQI
456 TVGQRIGSGS466 FGTVYKGKWH476 GDVAVKMLNV486 TAPTPQQLQA496 FKNEVGVLRK 506 TRHVNILLFM516 GYSTKPQLAI526 VTQWCEGSSL536 YHHLHIIETK546 FEMIKLIDIA 556 RQTAQGMDYL566 HAKSIIHRDL576 KSNNIFLHED586 LTVKIGDFGL596 ATVKSGSILW 618 MAPEVIRMQD628 KNPYSFQSDV638 YAFGIVLYEL648 MTGQLPYSNI658 NNRDQIIFMV 668 GRGYLSPDLS678 KVRSNCPKAM688 KRLMAECLKK698 KRDERPLFPQ708 ILASIELLAR 718 SLPK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RSW or .RSW2 or .RSW3 or :3RSW;style chemicals stick;color identity;select .A:462 or .A:470 or .A:480 or .A:530 or .A:531 or .A:532 or .A:533 or .A:534 or .A:535 or .A:538 or .A:582; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2,6-Difluoro-N-(3-Methoxy-2h-Pyrazolo[3,4-B]pyridin-5-Yl)-3-[(Propylsulfonyl)amino]benzamide | Ligand Info | |||||
| Structure Description | Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide Inhibitor | PDB:3TV6 | ||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [23] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVKSRWSSG 615 SILWMAPEVI625 RMQDKNPYSF635 QSDVYAFGIV645 LYELMTGQLP655 YSNINNRDQI 665 IFMVGRGYLS675 PDLSKVRSNC685 PKAMKRLMAE695 CLKKKRDERP705 LFPQILASIE 715 LLARSLPK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B0R or .B0R2 or .B0R3 or :3B0R;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:514 or .A:515 or .A:516 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:533 or .A:534 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596 or .A:597; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
4.006
VAL471
4.005
ALA481
3.218
VAL482
3.695
LYS483
3.363
LEU505
3.651
LEU514
3.225
LEU515
4.491
PHE516
4.243
ILE527
3.471
VAL528
4.938
THR529
3.485
|
|||||
| Ligand Name: 4-Amino-N-{2,6-Difluoro-3-[(Propylsulfonyl)amino]phenyl}thieno[3,2-D]pyrimidine-7-Carboxamide | Ligand Info | |||||
| Structure Description | B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor | PDB:4EHE | ||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [24] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVKSRSGSI 617 LWMAPEVIRM627 QDKNPYSFQS637 DVYAFGIVLY647 ELMTGQLPYS657 NINNRDQIIF 667 MVGRGYLSPD677 LSKVRSNCPK687 AMKRLMAECL697 KKKRDERPLF707 PQILASIELL 717 ARSLPK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RI8 or .RI82 or .RI83 or :3RI8;style chemicals stick;color identity;select .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:508 or .A:514 or .A:515 or .A:516 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:583 or .A:593 or .A:594 or .A:595 or .A:596 or .A:597; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL471
3.497
ALA481
3.516
VAL482
3.938
LYS483
3.494
LEU505
3.077
THR508
4.772
LEU514
3.332
LEU515
4.540
PHE516
3.792
ILE527
3.909
|
|||||
| Ligand Name: Ethyl 3-{[1-(Hydroxyamino)-2h-Inden-5-Yl]amino}thieno[2,3-C]pyridine-2-Carboxylate | Ligand Info | |||||
| Structure Description | Furo[2,3-c]pyridine-based Indanone Oximes as Potent and Selective B-Raf Inhibitors | PDB:3PSB | ||||
| Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | No | [25] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVGSILWMA 621 PEVIRMQDKN631 PYSFQSDVYA641 FGIVLYELMT651 GQLPYSNINN661 RDQIIFMVGR 671 GYLSPDLSKV681 RSNCPKAMKR691 LMAECLKKKR701 DERPLFPQIL711 ASIELLARSL 721 PK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SM6 or .SM62 or .SM63 or :3SM6;style chemicals stick;color identity;select .A:463 or .A:464 or .A:465 or .A:466 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:505 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:583 or .A:593 or .A:594 or .A:595; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.240
GLY464
4.542
SER465
3.937
GLY466
4.922
VAL471
3.507
ALA481
3.551
VAL482
4.578
LYS483
3.077
GLU501
2.827
LEU505
4.030
|
|||||
| Ligand Name: N-(6-Amino-5-Bromopyridin-3-Yl)-2,6-Difluoro-3-[(Propylsulfonyl)amino]benzamide | Ligand Info | |||||
| Structure Description | Human B-Raf Kinase Domain in Complex with an Bromopyridine Benzamide Inhibitor | PDB:3TV4 | ||||
| Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | No | [23] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSFG469 TVYKGKWHGD479 VAVKMLNVTA489 PTPQQLQAFK499 NEVGVLRKTR 509 HVNILLFMGY519 STKPQLAIVT529 QWCEGSSLYH539 HLHIIETKFE549 MIKLIDIARQ 559 TAQGMDYLHA569 KSIIHRDLKS579 NNIFLHEDLT589 VKIGDFGLAT599 VKSRSGSILW 619 MAPEVIRMQD629 KNPYSFQSDV639 YAFGIVLYEL649 MTGQLPYSNI659 NNRDQIIFMV 669 GRGYLSPDLS679 KVRSNCPKAM689 KRLMAECLKK699 KRDERPLFPQ709 ILASIELLAR 719 SLPK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TV4 or .TV42 or .TV43 or :3TV4;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:514 or .A:516 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596 or .A:597; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
4.381
VAL471
3.924
ALA481
3.190
VAL482
3.697
LYS483
3.339
LEU505
3.584
LEU514
3.121
PHE516
4.680
ILE527
3.411
THR529
3.402
|
|||||
| Ligand Name: N-{2,4-Difluoro-3-[methyl(3-Methyl-4-Oxo-3,4-Dihydroquinazolin-6-Yl)amino]phenyl}propane-1-Sulfonamide | Ligand Info | |||||
| Structure Description | Highly Potent and Selective 3-N-methylquinazoline-4(3H)-one Based Inhibitors of B-RafV600E Kinase | PDB:4PP7 | ||||
| Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | No | [26] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVKSRWSLS 614 GSILWMAPEV624 IRMQDKNPYS634 FQSDVYAFGI644 VLYELMTGQL654 PYSNINNRDQ 664 IIFMVGRGYL674 SPDLSKVRSN684 CPKAMKRLMA694 ECLKKKRDER704 PLFPQILASI 714 ELLARSL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2VX or .2VX2 or .2VX3 or :32VX;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:514 or .A:515 or .A:516 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:534 or .A:583 or .A:593 or .A:594 or .A:595 or .A:596 or .A:597; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
4.379
VAL471
3.523
ALA481
3.436
VAL482
4.253
LYS483
3.367
LEU505
3.449
LEU514
3.202
LEU515
4.467
PHE516
4.002
ILE527
3.586
THR529
3.627
|
|||||
| Ligand Name: 3-(4-{[2-(Pyrimidin-2-Yl)furo[2,3-C]pyridin-3-Yl]amino}-1h-Indazol-3-Yl)propan-1-Ol | Ligand Info | |||||
| Structure Description | Crystal Structure of Human B-Raf Kinase in Complex with a Non-Oxime Furopyridine Inhibitor | PDB:3PRI | ||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | No | [21] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVLSGSILW 619 MAPEVIRMQD629 KNPYSFQSDV639 YAFGIVLYEL649 MTGQLPYSNI659 NNRDQIIFMV 669 GRGYLSPDLS679 KVRSNCPKAM689 KRLMAECLKK699 KRDERPLFPQ709 ILASIELLAR 719 SLPK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FP4 or .FP42 or .FP43 or :3FP4;style chemicals stick;color identity;select .A:463 or .A:464 or .A:465 or .A:466 or .A:467 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:580 or .A:581 or .A:583 or .A:593 or .A:594 or .A:595; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.279
GLY464
4.243
SER465
3.799
GLY466
3.718
SER467
4.917
VAL471
3.722
ALA481
3.319
VAL482
4.899
LYS483
2.289
GLU501
3.050
LEU514
3.740
|
|||||
| Ligand Name: 3-{[3-(2-Cyanopropan-2-Yl)benzoyl]amino}-2,6-Difluoro-N-(3-Methoxy-2h-Pyrazolo[3,4-B]pyridin-5-Yl)benzamide | Ligand Info | |||||
| Structure Description | Human B-Raf Kinase Domain bound to a Type II Pyrazolopyridine Inhibitor | PDB:4G9C | ||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | No | [27] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVKLSGSIL 618 WMAPEVIRMQ628 DKNPYSFQSD638 VYAFGIVLYE648 LMTGQLPYSN658 INNRDQIIFM 668 VGRGYLSPDL678 SKVRSNCPKA688 MKRLMAECLK698 KKRDERPLFP708 QILASIELLA 718 RSLPK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0WP or .0WP2 or .0WP3 or :30WP;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:567 or .A:572 or .A:573 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:598 or .A:599; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.039
VAL471
3.925
ALA481
3.297
VAL482
3.994
LYS483
3.576
GLU501
2.698
VAL504
3.344
LEU505
3.381
THR508
4.622
ILE513
3.516
LEU514
3.454
ILE527
3.130
VAL528
4.648
THR529
3.060
|
|||||
| Ligand Name: N-{2,4-Difluoro-3-[({6-[(2-Hydroxyethyl)amino]pyrimidin-4-Yl}carbamoyl)amino]phenyl}propane-1-Sulfonamide | Ligand Info | |||||
| Structure Description | B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor | PDB:4EHG | ||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | Yes | [24] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATEGSILWMA 621 PEVIRMQDKN631 PYSFQSDVYA641 FGIVLYELMT651 GQLPYSNINN661 RDQIIFMVGR 671 GYLSPDLSKV681 RSNCPKAMKR691 LMAECLKKKR701 DERPLFPQIL711 ASIELLARSL 721 PK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RI9 or .RI92 or .RI93 or :3RI9;style chemicals stick;color identity;select .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:513 or .A:514 or .A:515 or .A:516 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:534 or .A:535 or .A:536 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL471
3.710
ALA481
3.123
VAL482
3.440
LYS483
3.572
LEU505
3.837
ILE513
4.954
LEU514
2.982
LEU515
4.807
PHE516
4.393
ILE527
3.582
THR529
3.743
GLN530
3.200
|
|||||
| Ligand Name: 6-[1-(Piperidin-4-Yl)-3-(Pyridin-4-Yl)-1h-Pyrazol-4-Yl]indeno[1,2-C]pyrazole | Ligand Info | |||||
| Structure Description | Non-oxime pyrazole based inhibitors of B-Raf kinase | PDB:3PSD | ||||
| Method | X-ray diffraction | Resolution | 3.60 Å | Mutation | No | [28] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVGSILWMA 621 PEVIRMQDKN631 PYSFQSDVYA641 FGIVLYELMT651 GQLPYSNINN661 RDQIIFMVGR 671 GYLSPDLSKV681 RSNCPKAMKR691 LMAECLKKKR701 DERPLFPQIL711 ASIELLARSL 721 PK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SM7 or .SM72 or .SM73 or :3SM7;style chemicals stick;color identity;select .A:463 or .A:464 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:505 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:535 or .A:536 or .A:539 or .A:580 or .A:583 or .A:593 or .A:594 or .A:595; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.541
GLY464
4.768
VAL471
3.269
ALA481
3.676
VAL482
4.397
LYS483
3.386
GLU501
2.923
LEU505
4.167
LEU514
3.517
ILE527
3.834
THR529
3.193
|
|||||
| Ligand Name: N-(2,4-Difluoro-3-{2-[(3-Hydroxypropyl)amino]-8-Methyl-7-Oxo-7,8-Dihydropyrido[2,3-D]pyrimidin-6-Yl}phenyl)propane-1-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal Structure of B-Raf Kinase Domain in Complex with a Dihydropyrido[2,3-d]pyrimidinone-based Inhibitor | PDB:4E4X | ||||
| Method | X-ray diffraction | Resolution | 3.60 Å | Mutation | No | [29] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVKSRWSLS 614 GSILWMAPEV624 IRMQDKNPYS634 FQSDVYAFGI644 VLYELMTGQL654 PYSNINNRDQ 664 IIFMVGRGYL674 SPDLSKVRSN684 CPKAMKRLMA694 ECLKKKRDER704 PLFPQILASI 714 ELLARSL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T1Q or .T1Q2 or .T1Q3 or :3T1Q;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:508 or .A:514 or .A:516 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:534 or .A:535 or .A:536 or .A:583 or .A:593 or .A:594 or .A:595 or .A:596 or .A:597; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
4.526
VAL471
3.731
ALA481
3.414
VAL482
3.949
LYS483
3.322
LEU505
3.529
THR508
4.626
LEU514
3.305
PHE516
3.945
ILE527
4.044
THR529
3.400
GLN530
3.827
|
|||||
| Ligand Name: methyl 3-[[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]amino]furo[2,3-c]pyridine-2-carboxylate | Ligand Info | |||||
| Structure Description | Human B-Raf Kinase in Complex with a Furopyridine Inhibitor | PDB:3PPJ | ||||
| Method | X-ray diffraction | Resolution | 3.70 Å | Mutation | No | [21] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVGSILWMA 621 PEVIRMQDKN631 PYSFQSDVYA641 FGIVLYELMT651 GQLPYSNINN661 RDQIIFMVGR 671 GYLSPDLSKV681 RSNCPKAMKR691 LMAECLKKKR701 DERPLFPQIL711 ASIELLARSL 721 PK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FOI or .FOI2 or .FOI3 or :3FOI;style chemicals stick;color identity;select .A:463 or .A:464 or .A:465 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:505 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:535 or .A:583 or .A:593 or .A:594 or .A:595; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.709
GLY464
4.178
SER465
4.005
VAL471
3.536
ALA481
3.466
VAL482
4.530
LYS483
3.096
GLU501
2.929
LEU505
3.953
LEU514
3.850
|
|||||
| Ligand Name: n-[3-(3-{4-[(Dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide | Ligand Info | |||||
| Structure Description | The Complex of wild-type B-RAF with Pyrazolo pyrimidine inhibitor | PDB:3II5 | ||||
| Method | X-ray diffraction | Resolution | 2.79 Å | Mutation | No | [30] |
| PDB Sequence |
DDWEIPDGQI
456 TVGQRIGSGS466 FGTVYKGKWH476 GDVAVKMLNV486 TAPTPQQLQA496 FKNEVGVLRK 506 TRHVNILLFM516 GYSTKPQLAI526 VTQWCEGSSL536 YHHLHIIETK546 FEMIKLIDIA 556 RQTAQGMDYL566 HAKSIIHRDL576 KSNNIFLHED586 LTVKIGDFGL596 ATVQLSGSIL 617 WMAPEVIRMQ627 DKNPYSFQSD637 VYAFGIVLYE647 LMTGQLPYSN657 INNRDQIIFM 667 VGRGYLSPDL677 SKVRSNCPKA687 MKRLMAECLK697 KKRDERPLFP707 QILASIELLA 717 RS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .831 or .8312 or .8313 or :3831;style chemicals stick;color identity;select .A:462 or .A:463 or .A:470 or .A:480 or .A:482 or .A:500 or .A:503 or .A:504 or .A:507 or .A:512 or .A:513 or .A:526 or .A:528 or .A:531 or .A:566 or .A:571 or .A:573 or .A:591 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE462
3.515
GLY463
4.319
VAL470
3.757
ALA480
3.701
LYS482
3.520
GLU500
3.100
VAL503
4.682
LEU504
3.738
THR507
4.386
ILE512
3.938
LEU513
3.537
ILE526
3.718
|
|||||
| Ligand Name: 2,6-Difluoro-N-(1h-Imidazo[4,5-B]pyridin-6-Yl)-3-[(Propylsulfonyl)amino]benzamide | Ligand Info | |||||
| Structure Description | Human B-Raf Kinase Domain in Complex with an Imidazopyridine-based Inhibitor | PDB:4MBJ | ||||
| Method | X-ray diffraction | Resolution | 3.60 Å | Mutation | No | [31] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVKSRWSLS 614 GSILWMAPEV624 IRMQDKNPYS634 FQSDVYAFGI644 VLYELMTGQL654 PYSNINNRDQ 664 IIFMVGRGYL674 SPDLSKVRSN684 CPKAMKRLMA694 ECLKKKRDER704 PLFPQILASI 714 ELLARSLPK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DFS or .DFS2 or .DFS3 or :3DFS;style chemicals stick;color identity;select .A:463 or .A:468 or .A:471 or .A:481 or .A:483 or .A:505 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:534 or .A:583 or .A:593 or .A:594 or .A:595 or .A:596 or .A:597; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: B-Raf inhibitor 1 | Ligand Info | |||||
| Structure Description | B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor | PDB:3IDP | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [32] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTKPQLAIV528 TQWCEGSSLY538 HHLHIIETKF548 EMIKLIDIAR 558 QTAQGMDYLH568 AKSIIHRDLK578 SNNIFLHEDL588 TVKIGDFGLS614 GSILWMAPEV 624 IRMQDKNPYS634 FQSDVYAFGI644 VLYELMTGQL654 PYSNINNRDQ664 IIFMVGRGYL 674 SPDLSKVRSN684 CPKAMKRLMA694 ECLKKKRDER704 PLFPQILASI714 ELLARS |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L1E or .L1E2 or .L1E3 or :3L1E;style chemicals stick;color identity;select .B:463 or .B:471 or .B:481 or .B:482 or .B:483 or .B:501 or .B:504 or .B:505 or .B:513 or .B:514 or .B:527 or .B:529 or .B:530 or .B:531 or .B:532 or .B:533 or .B:567 or .B:572 or .B:583 or .B:592 or .B:593 or .B:594 or .B:595; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
4.485
VAL471
3.594
ALA481
3.520
VAL482
3.734
LYS483
3.508
GLU501
2.860
VAL504
3.864
LEU505
3.427
ILE513
4.522
LEU514
3.268
ILE527
3.731
THR529
3.660
|
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| Ligand Name: 6-[2-[[3-(Dimethylsulfamoylamino)-2,6-Bis(Fluoranyl)phenyl]amino]pyridin-3-Yl]-7~{h}-Purine | Ligand Info | |||||
| Structure Description | B-Raf wild-type kinase domain in complex with a purinylpyridinylamino-based inhibitor | PDB:5FD2 | ||||
| Method | X-ray diffraction | Resolution | 2.89 Å | Mutation | No | [33] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL597 ATVKSRWSGS 616 ILWMAPEVIR626 MQDKNPYSFQ636 SDVYAFGIVL646 YELMTGQLPY656 SNINNRDQII 666 FMVGRGYLSP676 DLSKVRSNCP686 KAMKRLMAEC696 LKKKRDERPL706 FPQILASIEL 716 LARS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5XJ or .5XJ2 or .5XJ3 or :35XJ;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:514 or .A:516 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:534 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
4.263
VAL471
3.462
ALA481
3.166
VAL482
4.058
LYS483
3.382
LEU505
3.366
LEU514
3.420
PHE516
4.165
ILE527
3.725
THR529
3.416
|
|||||
| Ligand Name: N-{2-Cyano-3-[(3-Methyl-4-Oxo-3,4-Dihydroquinazolin-6-Yl)amino]phenyl}propane-1-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM | PDB:5ITA | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [34] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHASETK547 FEMKKLIDIA 557 RQTARGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 NTVKIGDFGL597 SILWMAPEVI 625 RMNPYSFQSD638 VYAFGIVLYE648 LMTGQLPYSN658 INNRDQIIEM668 VGRGSLSPDL 678 SKVRSNCPKR688 MKRLMAECLK698 KKRDERPSFP708 RILAEIEELA718 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6DC or .6DC2 or .6DC3 or :36DC;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:483 or .A:501 or .A:505 or .A:514 or .A:515 or .A:516 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:534 or .A:535 or .A:581 or .A:583 or .A:593 or .A:594 or .A:595 or .A:596; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.689
VAL471
3.968
ALA481
3.441
LYS483
3.553
GLU501
4.296
LEU505
3.834
LEU514
3.188
LEU515
4.628
PHE516
4.131
ILE527
3.900
THR529
3.566
|
|||||
| Ligand Name: 3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-[4-({[2-(morpholin-4-yl)ethyl]amino}methyl)-3-(trifluoromethyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | The co-crystal structure of BRAF(V600E) with PHI1 | PDB:6P7G | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | Yes | [1] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTKPQLAIV528 TQWCEGSSLY538 HHLHASETKF548 EMKKLIDIAR 558 QTARGMDYLH568 AKSIIHRDLK578 SNNIFLHEDN588 TVKIGDFGLS614 GSILWMAPEV 624 IRMQDSNPYS634 FQSDVYAFGI644 VLYELMTGQL654 PYSNINNRDQ664 IIEMVGRGSL 674 SPDLSKVRSN684 CPKRMKRLMA694 ECLKKKRDER704 PSFPRILAEI714 EELARE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E7M or .E7M2 or .E7M3 or :3E7M;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:497 or .A:500 or .A:501 or .A:504 or .A:505 or .A:513 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:567 or .A:572 or .A:573 or .A:574 or .A:575 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:597; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
4.096
VAL471
3.900
ALA481
3.573
VAL482
3.961
LYS483
3.488
ALA497
4.580
ASN500
3.994
GLU501
3.264
VAL504
3.967
LEU505
3.807
ILE513
3.745
LEU514
3.230
ILE527
3.873
THR529
3.534
|
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| Ligand Name: N-{3-[(5-Chloro-1h-Pyrrolo[2,3-B]pyridin-3-Yl)carbonyl]-2,4-Difluorophenyl}-4-(Trifluoromethyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | B-Raf Kinase domain in complex with PLX5568 | PDB:4XV9 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHASETK547 FEMKKLIDIA 557 RQTARGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 NTVKIGDFGL597 ALSGSILWMA 621 PEVIRMQDSN631 PYSFQSDVYA641 FGIVLYELMT651 GQLPYSNINN661 RDQIIEMVGR 671 GSLSPDLSKV681 RSNCPKRMKR691 LMAECLKKKR701 DERPSFPRIL711 AEIEELAREL 721 S
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1OO or .1OO2 or .1OO3 or :31OO;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:567 or .A:572 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:597; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.607
VAL471
3.426
ALA481
3.238
VAL482
3.897
LYS483
3.510
GLU501
4.460
LEU505
3.449
THR508
4.008
ILE513
3.599
LEU514
3.257
ILE527
3.856
THR529
3.066
|
|||||
| Ligand Name: N'-(3-{[5-(2-Cyclopropylpyrimidin-5-Yl)-1h-Pyrrolo[2,3-B]pyridin-3-Yl]carbonyl}-2,4-Difluorophenyl)-N-Ethyl-N-Methylsulfuric Diamide | Ligand Info | |||||
| Structure Description | B-Raf Kinase V600E oncogenic mutant in complex with PLX7904 | PDB:4XV1 | ||||
| Method | X-ray diffraction | Resolution | 2.47 Å | Mutation | Yes | [2] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGTV471 YKGKWHGDVA481 VKMLNVAPTP492 QQLQAFKNEV502 GVLRKTRHVN 512 ILLFMGYSTK522 PQLAIVTQWC532 EGSSLYHHLH542 ASKFEMKKLI554 DIARQTARGM 564 DYLHAKSIIH574 RDLKSNNIFL584 HEDNTVKIGD594 FGSGSILWMA621 PEVIRNPYSF 635 QSDVYAFGIV645 LYELMTGQLP655 YSNINNRDQI665 IEMVGRGSLS675 PDLSKVNCPK 687 RMKRLMAECL697 KKKRDERPSF707 PRILAEIEE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .904 or .9042 or .9043 or :3904;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:514 or .A:515 or .A:516 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:534 or .A:535 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.525
VAL471
3.740
ALA481
3.292
VAL482
4.142
LYS483
3.571
LEU505
3.301
LEU514
3.254
LEU515
4.218
PHE516
3.841
ILE527
3.561
THR529
3.001
|
|||||
| Ligand Name: N-{2,4-Difluoro-3-[(5-Pyridin-3-Yl-1h-Pyrrolo[2,3-B]pyridin-3-Yl)carbonyl]phenyl}ethanesulfonamide | Ligand Info | |||||
| Structure Description | B-Raf Kinase V600E Oncogenic Mutant in Complex with PLX3203 | PDB:4FK3 | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | Yes | [12] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHASETK547 FEMKKLIDIA 557 RQTARGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 NTVKIGDFGS614 GSILWMAPEV 624 IRMNPYSFQS637 DVYAFGIVLY647 ELMTGQLPYS657 NINNRDQIIE667 MVGRGSLSPD 677 LSKVRSNCPK687 RMKRLMAECL697 KKKRDERPSF707 PRILAEIEEL717 A |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .325 or .3252 or .3253 or :3325;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:534 or .A:536 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.712
VAL471
3.425
ALA481
3.335
VAL482
4.037
LYS483
3.408
LEU505
3.762
LEU514
3.491
ILE527
3.905
THR529
3.285
GLN530
3.184
|
|||||
| Ligand Name: N'-{3-[5-(2-Aminopyrimidin-4-Yl)-2-Tert-Butyl-1,3-Thiazol-4-Yl]-2-Fluorophenyl}-N-Ethyl-N-Methylsulfuric Diamide | Ligand Info | |||||
| Structure Description | B-Raf Kinase V600E oncogenic mutant in complex with PLX7922 | PDB:4XV3 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGT470 VYKGKWHGDV480 AVKMLNVPTP492 QQLQAFKNEV502 GVLRKTRHVN 512 ILLFMGYSTK522 PQLAIVTQWC532 EGSSLYHHLH542 ASETKFEMKK552 LIDIARQTAR 562 GMDYLHAKSI572 IHRDLKSNNI582 FLHEDNTVKI592 GDFGSGSILW619 MAPEVIRNPY 633 SFQSDVYAFG643 IVLYELMTGQ653 LPYSNINNRD663 QIIEMVGRGS673 LSPDLSKVRS 683 NCPKRMKRLM693 AECLKKKRDE703 RPSFPRILAE713 IEEL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P02 or .P022 or .P023 or :3P02;style chemicals stick;color identity;select .A:464 or .A:465 or .A:471 or .A:481 or .A:483 or .A:505 or .A:508 or .A:513 or .A:514 or .A:516 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:580 or .A:581 or .A:583 or .A:593 or .A:594 or .A:595 or .A:596; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY464
4.803
SER465
3.980
VAL471
3.541
ALA481
3.504
LYS483
3.429
LEU505
3.386
THR508
4.736
ILE513
4.812
LEU514
3.353
PHE516
4.129
ILE527
3.471
|
|||||
| Ligand Name: (E)-5-(1-(2-hydroxyethyl)-3-(pyridin-4-yl)-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime | Ligand Info | |||||
| Structure Description | BRAF dimer bound to 14-3-3 | PDB:6U2H | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [15] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHASETK547 FEMKKLIDIA 557 RQTARGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 NTVKIGDFGL597 ATVKSRGSIL 618 WMAPEVIRMQ628 DSNPYSFQSD638 VYAFGIVLYE648 LMTGQLPYSN658 INNRDQIIEM 668 VGRGSLSPDL678 SKVRSNCPKR688 MKRLMAECLK698 KKRDERPSFP708 RILAEIEELA 718 RELPKIHRSA728 EPSL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .29L or .29L2 or .29L3 or :329L;style chemicals stick;color identity;select .C:463 or .C:464 or .C:465 or .C:466 or .C:471 or .C:481 or .C:482 or .C:483 or .C:501 or .C:505 or .C:514 or .C:527 or .C:529 or .C:530 or .C:531 or .C:532 or .C:536 or .C:580 or .C:583 or .C:594 or .C:595; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.516
GLY464
4.448
SER465
3.697
GLY466
4.282
VAL471
3.364
ALA481
3.941
VAL482
4.750
LYS483
2.855
GLU501
2.356
LEU505
4.344
LEU514
4.079
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea | Ligand Info | |||||
| Structure Description | Crystal structure of bRaf in complex with inhibitor GNE-0749 | PDB:7K0V | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [35] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTKPQLAIV528 TQWCEGSSLY538 KHLHASETKF548 EMKKLIDIAR 558 QTARGMDYLH568 AKSIIHRDLK578 SNNIFLHEDN588 TVKIGDFGLA598 TQFEQLSGSI 617 LWMAPEVIRM627 NPYSFQSDVY640 AFGIVLYELM650 TGQLPYSNIN660 NRDQIIEMVG 670 RGSLSPDLSK680 VRSNCPKRMK690 RLMAECLKKK700 RDERPSFPRI710 LAEIEELARE 720 LS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VQP or .VQP2 or .VQP3 or :3VQP;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:567 or .A:572 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:597; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.998
VAL471
3.759
ALA481
3.359
VAL482
4.085
LYS483
3.688
GLU501
2.855
VAL504
4.498
LEU505
3.212
THR508
4.152
ILE513
4.136
LEU514
3.318
ILE527
3.223
THR529
3.244
|
|||||
| Ligand Name: 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of bRaf in complex with inhibitor | PDB:6XLO | ||||
| Method | X-ray diffraction | Resolution | 2.49 Å | Mutation | No | [35] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLPTP492 QQLQAFKNEV502 GVLRKTRHVN 512 ILLFMGYSTK522 PQLAIVTQWC532 EGSSLYKHLH542 ASETKFEMKK552 LIDIARQTAR 562 GMDYLHAKSI572 IHRDLKSNNI582 FLHEDNTVKI592 GDFGLATVKS602 RWSGQLSGSI 617 LWMAPEVIRP632 YSFQSDVYAF642 GIVLYELMTG652 QLPYSNINNR662 DQIIEMVGRG 672 SLSPDLSKVR682 SNCPKRMKRL692 MAECLKKKRD702 ERPSFPRILA712 EIEELARE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V5J or .V5J2 or .V5J3 or :3V5J;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:567 or .A:572 or .A:573 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:601; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.714
VAL471
3.550
ALA481
3.467
VAL482
3.934
LYS483
3.502
GLU501
2.789
VAL504
3.788
LEU505
3.010
THR508
4.079
ILE513
4.767
LEU514
3.463
ILE527
3.254
THR529
3.262
|
|||||
| Ligand Name: 1-(propan-2-yl)-3-({3-[3-(trifluoromethyl)phenyl]isoquinolin-8-yl}ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | Ligand Info | |||||
| Structure Description | Crystal structure of RAF kinase domain bound to the inhibitor 2a | PDB:6CAD | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | Yes | [36] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSSFG469 TVYKGKWHGD479 VAVKMLNAPT491 PQQLQAFKNE501 VGVLRKTRHV 511 NILLFMGYST521 KPQLAIVTQW531 CEGSSLYHHL541 HASETKFEMK551 KLIDIARQTA 561 RGMDYLHAKS571 IIHRDLKSNN581 IFLHEDNTVK591 IGDFGSGSIL618 WMAPEVIRMP 632 YSFQSDVYAF642 GIVLYELMTG652 QLPYSNINRD663 QIIEMVGRGS673 LSPDLSKVRS 683 NCPKRMKRLM693 AECLKKKRDE703 RPSFPRILAE713 IEELARELS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EU4 or .EU42 or .EU43 or :3EU4;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:483 or .A:501 or .A:504 or .A:505 or .A:513 or .A:514 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:567 or .A:572 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
4.194
VAL471
4.142
ALA481
3.265
LYS483
3.510
GLU501
3.619
VAL504
4.995
LEU505
3.539
ILE513
3.925
LEU514
3.511
ILE527
3.423
VAL528
4.811
THR529
3.127
|
|||||
| Ligand Name: N-{7-Cyano-6-[4-Fluoro-3-({[3-(Trifluoromethyl)phenyl]acetyl}amino)phenoxy]-1,3-Benzothiazol-2-Yl}cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Human B-raf bound to a DFG-out Inhibitor TAK-632 | PDB:4KSP | ||||
| Method | X-ray diffraction | Resolution | 2.93 Å | Mutation | No | [37] |
| PDB Sequence |
DDWEIPDGQI
456 TVGQRIGSGS466 FGTVYKGKWH476 GDVAVKMLNV486 TAPTPQQLQA496 FKNEVGVLRK 506 TRHVNILLFM516 GYSTKPQLAI526 VTQWCEGSSL536 YHHLHIIETK546 FEMIKLIDIA 556 RQTAQGMDYL566 HAKSIIHRDL576 KSNNIFLHED586 LTVKIGDFGG614 SILWMAPEVI 624 RMQDKNPYSF634 QSDVYAFGIV644 LYELMTGQLP654 YSNINNRDQI664 IFMVGRGYLS 674 PDLSKVRSNC684 PKAMKRLMAE694 CLKKKRDERP704 LFPQILASIE714 LLARSLP |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1SU or .1SU2 or .1SU3 or :31SU;style chemicals stick;color identity;select .A:462 or .A:470 or .A:480 or .A:481 or .A:482 or .A:500 or .A:503 or .A:504 or .A:507 or .A:512 or .A:513 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:533 or .A:566 or .A:571 or .A:573 or .A:582 or .A:591 or .A:592 or .A:593 or .A:594; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE462
4.032
VAL470
3.447
ALA480
3.273
VAL481
4.583
LYS482
3.417
GLU500
3.114
VAL503
4.278
LEU504
3.517
THR507
4.991
ILE512
4.129
LEU513
3.643
ILE526
3.001
VAL527
4.909
THR528
3.581
|
|||||
| Ligand Name: 2-Chloro-3-[(2-Cyanopropan-2-Yl)oxy]-N-{5-[{2-[(Cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-B]pyridin-5-Yl}(Methyl)amino]-2-Fluorophenyl}benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Kinase Domain of B-raf with a DFG-out Inhibitor | PDB:4FC0 | ||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [38] |
| PDB Sequence |
DDWEIPDGQI
456 TVGQRIGSGS466 FGTVYKGKWH476 GDVAVKMLNV486 TAPTPQQLQA496 FKNEVGVLRK 506 TRHVNILLFM516 GYSTKPQLAI526 VTQWCEGSSL536 YHHLHIIETK546 FEMIKLIDIA 556 RQTAQGMDYL566 HAKSIIHRDL576 KSNNIFLHED586 LTVKIGDFGG614 SILWMAPEVI 624 RMNPYSFQSD637 VYAFGIVLYE647 LMTGQLPYSN657 INNRDQIIFM667 VGRGYLSPDL 677 SKVRSNCPKA687 MKRLMAECLK697 KKRDERPLFP707 QILASIELLA717 RSLP |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0T2 or .0T22 or .0T23 or :30T2;style chemicals stick;color identity;select .A:462 or .A:470 or .A:480 or .A:482 or .A:500 or .A:503 or .A:504 or .A:507 or .A:512 or .A:513 or .A:526 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:533 or .A:566 or .A:571 or .A:573 or .A:582 or .A:591 or .A:592 or .A:593 or .A:594; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE462
3.964
VAL470
4.148
ALA480
3.538
LYS482
3.531
GLU500
2.747
VAL503
3.520
LEU504
3.280
THR507
4.939
ILE512
4.664
LEU513
3.653
ILE526
3.112
THR528
3.207
GLN529
3.366
|
|||||
| Ligand Name: 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine | Ligand Info | |||||
| Structure Description | Crystal structure of BRAF kinase domain bound to the inhibitor 2l | PDB:6NSQ | ||||
| Method | X-ray diffraction | Resolution | 3.05 Å | Mutation | Yes | [39] |
| PDB Sequence |
SDDWEIPDGQ
456 ITVGQRIGSG466 SFGTVYKGKW476 HGDVAVKMLN486 VTAPTPQQLQ496 AFKNEVGVLR 506 KTRHVNILLF516 MGYSTKPQLA526 IVTQWCEGSS536 LYHHLHASET546 KFEMKKLIDI 556 ARQTARGMDY566 LHAKSIIHRD576 LKSNNIFLHE586 DNTVKIGDFG596 GSILWMAPEV 624 IRPYSFQSDV639 YAFGIVLYEL649 MTGQLPYSNI659 NNRDQIIEMV669 GRGSLSPDLS 679 KVRSNCPKRM689 KRLMAECLKK699 KRDERPSFPR709 ILAEIEELAR719 ELS |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KZP or .KZP2 or .KZP3 or :3KZP;style chemicals stick;color identity;select .B:463 or .B:471 or .B:481 or .B:482 or .B:483 or .B:501 or .B:504 or .B:505 or .B:508 or .B:513 or .B:514 or .B:527 or .B:529 or .B:530 or .B:531 or .B:532 or .B:567 or .B:583 or .B:592 or .B:593 or .B:594 or .B:595; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.553
VAL471
3.942
ALA481
3.290
VAL482
3.910
LYS483
3.550
GLU501
2.729
VAL504
4.351
LEU505
3.491
THR508
4.726
ILE513
4.536
LEU514
3.485
|
|||||
| Ligand Name: 2-Chloro-3-(1-Cyanocyclopropyl)-N-[5-({2-[(Cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-B]pyridin-5-Yl}oxy)-2-Fluorophenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine derivative | PDB:4DBN | ||||
| Method | X-ray diffraction | Resolution | 3.15 Å | Mutation | No | [40] |
| PDB Sequence |
DDWEIPDGQI
456 TVGQRIGSGS466 FGTVYKGKWH476 GDVAVKMLNV486 TAPTPQQLQA496 FKNEVGVLRK 506 TRHVNILLFM516 GYSTKPQLAI526 VTQWCEGSSL536 YHHLHIIETK546 FEMIKLIDIA 556 RQTAQGMDYL566 HAKSIIHRDL576 KSNNIFLHED586 LTVKIGDFGL596 GSILWMAPEV 623 IRMQDKNPYS633 FQSDVYAFGI643 VLYELMTGQL653 PYSNINNRDQ663 IIFMVGRGYL 673 SPDLSKVRSN683 CPKAMKRLMA693 ECLKKKRDER703 PLFPQILASI713 ELLARSL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0JA or .0JA2 or .0JA3 or :30JA;style chemicals stick;color identity;select .A:462 or .A:470 or .A:480 or .A:481 or .A:482 or .A:500 or .A:503 or .A:504 or .A:507 or .A:512 or .A:513 or .A:526 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:533 or .A:566 or .A:571 or .A:573 or .A:582 or .A:591 or .A:592 or .A:593 or .A:594; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE462
4.103
VAL470
4.108
ALA480
3.348
VAL481
4.864
LYS482
3.631
GLU500
3.210
VAL503
4.112
LEU504
3.432
THR507
3.508
ILE512
3.896
LEU513
3.462
ILE526
2.973
THR528
3.233
|
|||||
| Ligand Name: N-(3-{5-[(1-acetylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of BRAF kinase domain bound to the PROTAC P4B | PDB:6UUO | ||||
| Method | X-ray diffraction | Resolution | 3.29 Å | Mutation | Yes | [41] |
| PDB Sequence |
WEIPDGQITV
459 GQRIFGTVYK473 GKWHGDVAVK483 MLNVTPTPQQ494 LQAFKNEVGV504 LRKTRHVNIL 514 LFMGYSTKPQ524 LAIVTQWCEG534 SSLYHHLHAS544 ETKFEMKKLI554 DIARQTARGM 564 DYLHAKSIIH574 RDLKSNNIFL584 HEDNTVKIGD594 FFEQLSGSIL618 WMAPEVIRMQ 628 DSNPYSFQSD638 VYAFGIVLYE648 LMTGQLPYSN658 INNRDQIIEM668 VGRGSLSPDL 678 SKVRSNCPKR688 MKRLMAECLK698 KKRDERPSFP708 RILAEIEELA718 RELS |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QH1 or .QH12 or .QH13 or :3QH1;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:508 or .A:513 or .A:514 or .A:515 or .A:516 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
4.888
VAL471
4.206
ALA481
3.454
VAL482
4.234
LYS483
3.822
LEU505
4.295
THR508
4.165
ILE513
4.533
LEU514
3.194
LEU515
4.866
PHE516
3.939
|
|||||
| Ligand Name: N-{7-Cyano-6-[4-Fluoro-3-({[3-(Trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-1,3-Benzothiazol-2-Yl}cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Human B-raf bound to a DFG-out Inhibitor 5B | PDB:4KSQ | ||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [37] |
| PDB Sequence |
DDWEIPDGQI
456 TVGQRIGSGS466 FGTVYKGKWH476 GDVAVKMLNV486 TAPTPQQLQA496 FKNEVGVLRK 506 TRHVNILLFM516 GYSTKPQLAI526 VTQWCEGSSL536 YHHLHIIETK546 FEMIKLIDIA 556 RQTAQGMDYL566 HAKSIIHRDL576 KSNNIFLHED586 LTVKIGDFGL596 GSILWMAPEV 623 IRMQDKNPYS633 FQSDVYAFGI643 VLYELMTGQL653 PYSNINNRDQ663 IIFMVGRGYL 673 SPDLSKVRSN683 CPKAMKRLMA693 ECLKKKRDER703 PLFPQILASI713 ELLARSLP |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1SW or .1SW2 or .1SW3 or :31SW;style chemicals stick;color identity;select .A:462 or .A:470 or .A:480 or .A:481 or .A:482 or .A:500 or .A:503 or .A:504 or .A:507 or .A:512 or .A:513 or .A:526 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:533 or .A:566 or .A:571 or .A:573 or .A:582 or .A:591 or .A:592 or .A:593 or .A:594; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE462
4.137
VAL470
3.857
ALA480
3.364
VAL481
4.776
LYS482
3.627
GLU500
2.757
VAL503
4.333
LEU504
3.427
THR507
4.984
ILE512
3.719
LEU513
3.512
ILE526
3.010
VAL527
4.855
THR528
3.379
|
|||||
| Ligand Name: (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF B-RAF IN COMPLEX WITH BI 882370 | PDB:5CSX | ||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | Yes | [42] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHASETK547 FEMKKLIDIA 557 RQTARGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 NTVKIGDFGL597 ATVKSRSGSI 617 LWMAPEVIRM627 QDPYSFQSDV639 YAFGIVLYEL649 MTGQLPYSNI659 NNRDQIIEMV 669 GRGSLSPDLS679 KVRSNCPKRM689 KRLMAECLKK699 KRDERPSFPR709 ILAEIEELAR 719 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:567 or .A:572 or .A:573 or .A:574 or .A:592 or .A:593 or .A:594 or .A:601 or .A:603; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-{5-[(1-Ethylpiperidin-4-Yl)(Methyl)amino]-3-(Pyrimidin-5-Yl)-1h-Pyrrolo[3,2-B]pyridin-1-Yl}-2,4-Difluorophenyl)propane-1-Sulfonamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF B-RAF IN COMPLEX WITH BI 882370 | PDB:5CSX | ||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | Yes | [42] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHASETK547 FEMKKLIDIA 557 RQTARGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 NTVKIGDFGL597 ATVKSRSGSI 617 LWMAPEVIRM627 QDPYSFQSDV639 YAFGIVLYEL649 MTGQLPYSNI659 NNRDQIIEMV 669 GRGSLSPDLS679 KVRSNCPKRM689 KRLMAECLKK699 KRDERPSFPR709 ILAEIEELAR 719 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .54J or .54J2 or .54J3 or :354J;style chemicals stick;color identity;select .A:463 or .A:464 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:505 or .A:508 or .A:514 or .A:515 or .A:516 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:583 or .A:593 or .A:594 or .A:595 or .A:596 or .A:597 or .A:601; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.633
GLY464
4.405
VAL471
3.392
ALA481
3.490
VAL482
3.842
LYS483
3.379
GLU501
4.666
LEU505
3.623
THR508
4.731
LEU514
3.169
LEU515
4.509
PHE516
3.689
ILE527
3.614
|
|||||
| Ligand Name: (2s)-N-[3-(2-Aminopropan-2-Yl)-5-(Trifluoromethyl)phenyl]-7-[(7-Oxo-5,6,7,8-Tetrahydro-1,8-Naphthyridin-4-Yl)oxy]-1,2,3,4-Tetrahydronaphthalene-2-Carboxamide | Ligand Info | |||||
| Structure Description | B-Raf kinase domain in complex with a tetrahydronaphthalene inhibitor | PDB:3Q96 | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [43] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTKPQLAIV528 TQWCEGSSLY538 HHLHIIETKF548 EMIKLIDIAR 558 QTAQGMDYLH568 AKSIIHRDLK578 SNNIFLHEDL588 TVKIGDFGLS616 ILWMAPEVIR 626 MNPYSFQSDV639 YAFGIVLYEL649 MTGQLPYSNI659 NNRDQIIFMV669 GRGYLSPDLS 679 KVRSNCPKAM689 KRLMAECLKK699 KRDERPLFPQ709 ILASIELLAR719 SLP |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0NF or .0NF2 or .0NF3 or :30NF;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:534 or .A:567 or .A:572 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.963
VAL471
3.751
ALA481
3.426
VAL482
4.354
LYS483
3.483
GLU501
2.776
VAL504
4.050
LEU505
3.627
THR508
4.590
ILE513
4.700
LEU514
3.508
ILE527
3.567
THR529
3.374
|
|||||
| Ligand Name: N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide | Ligand Info | |||||
| Structure Description | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | PDB:6N0Q | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [13] |
| PDB Sequence |
SSDDWEIPDG
455 QITVGQRIGS465 GSFGTVYKGK475 WHGDVAVKML485 NVTAPTPQQL495 QAFKNEVGVL 505 RKTRHVNILL515 FMGYSTKPQL525 AIVTQWCEGS535 SLYHHLHIIE545 TKFEMIKLID 555 IARQTAQGMD565 YLHAKSIIHR575 DLKSNNIFLH585 EDLTVKIGDF595 GSGSILWMAP 622 EVIRMKNPYS634 FQSDVYAFGI644 VLYELMTGQL654 PYSNINNRDQ664 IIFMVGRGYL 674 SPDLSKVRSN684 CPKAMKRLMA694 ECLKKKRDER704 PLFPQILASI714 ELLARSL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K7S or .K7S2 or .K7S3 or :3K7S;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:529 or .A:531 or .A:567 or .A:572 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.562
VAL471
3.626
ALA481
3.454
VAL482
3.762
LYS483
3.421
GLU501
2.793
VAL504
3.808
LEU505
3.598
THR508
4.608
ILE513
4.247
LEU514
3.415
|
|||||
| Ligand Name: N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridin-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide | Ligand Info | |||||
| Structure Description | BRAF in Complex with RAF709 | PDB:5VAM | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [44] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTKPQLAIV528 TQWCEGSSLY538 HHLHIIETKF548 EMIKLIDIAR 558 QTAQGMDYLH568 AKSIIHRDLK578 SNNIFLHEDL588 TVKIGDFGLA598 TVKSRWSFEQ 612 LSGSILWMAP622 EVIRMQDKNP632 YSFQSDVYAF642 GIVLYELMTG652 QLPYSNINNR 662 DQIIFMVGRG672 YLSPDLSKVR682 SNCPKAMKRL692 MAECLKKKRD702 ERPLFPQILA 712 SIELLARSL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .92J or .92J2 or .92J3 or :392J;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:567 or .A:572 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:604; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.600
VAL471
3.677
ALA481
3.659
VAL482
3.964
LYS483
3.550
GLU501
2.880
VAL504
3.908
LEU505
3.771
THR508
4.592
ILE513
3.624
LEU514
3.674
ILE527
3.680
THR529
3.484
|
|||||
| Ligand Name: N-(3-Tert-Butylphenyl)-4-Methyl-3-[6-(Morpholin-4-Yl)pyrimidin-4-Yl]benzamide | Ligand Info | |||||
| Structure Description | BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide | PDB:5VAL | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [44] |
| PDB Sequence |
SSDDWEIPDG
455 QITVGQRIGS465 GSFGTVYKGK475 WHGDVAVKML485 NVTAPTPQQL495 QAFKNEVGVL 505 RKTRHVNILL515 FMGYSTKPQL525 AIVTQWCEGS535 SLYHHLHIIE545 TKFEMIKLID 555 IARQTAQGMD565 YLHAKSIIHR575 DLKSNNIFLH585 EDLTVKIGDF595 GSILWMAPEV 624 IRMKNPYSFQ636 SDVYAFGIVL646 YELMTGQLPY656 SNINNRDQII666 FMVGRGYLSP 676 DLSKVRSNCP686 KAMKRLMAEC696 LKKKRDERPL706 FPQILASIEL716 LARS |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .92D or .92D2 or .92D3 or :392D;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:567 or .A:572 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.848
VAL471
3.631
ALA481
3.581
VAL482
3.840
LYS483
3.529
GLU501
2.860
VAL504
3.611
LEU505
3.682
THR508
4.466
ILE513
4.400
LEU514
3.627
ILE527
3.799
|
|||||
| Ligand Name: N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide | Ligand Info | |||||
| Structure Description | Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor | PDB:6B8U | ||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | No | [45] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTKPQLAIV528 TQWCEGSSLY538 HHLHIIETKF548 EMIKLIDIAR 558 QTAQGMDYLH568 AKSIIHRDLK578 SNNIFLHEDL588 TVKIGDFGLA598 GSILWMAPEV 624 IRMNPYSFQS637 DVYAFGIVLY647 ELMTGQLPYS657 NINNRDQIIF667 MVGRGYLSPD 677 LSKVRSNCPK687 AMKRLMAECL697 KKKRDERPLF707 PQILASIELL717 ARS |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8EN or .8EN2 or .8EN3 or :38EN;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:504 or .A:505 or .A:508 or .A:513 or .A:514 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:567 or .A:572 or .A:574 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.710
VAL471
3.780
ALA481
3.428
VAL482
3.971
LYS483
3.555
GLU501
2.813
VAL504
4.136
LEU505
3.618
THR508
4.468
ILE513
4.125
LEU514
3.654
ILE527
3.452
VAL528
4.751
|
|||||
| Ligand Name: 5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime | Ligand Info | |||||
| Structure Description | Structure of the B-Raf kinase domain bound to SB-590885 | PDB:2FB8 | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [46] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGSF468 GTVYKGKWHG478 DVAVKMLNVT488 APTPQQLQAF498 KNEVGVLRKT 508 RHVNILLFMG518 YSTKPQLAIV528 TQWCEGSSLY538 HHLHIIETKF548 EMIKLIDIAR 558 QTAQGMDYLH568 AKSIIHRDLK578 SNNIFLHEDL588 TVKIGDFGLA598 TVSGSILWMA 621 PEVIRMQDKN631 PYSFQSDVYA641 FGIVLYELMT651 GQLPYSNINN661 RDQIIFMVGR 671 GYLSPDLSKV681 RSNCPKAMKR691 LMAECLKKKR701 DERPLFPQIL711 ASIELLARS |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .215 or .2152 or .2153 or :3215;style chemicals stick;color identity;select .A:463 or .A:464 or .A:465 or .A:471 or .A:481 or .A:482 or .A:483 or .A:501 or .A:514 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:533 or .A:583 or .A:593 or .A:594 or .A:595; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl]propane-1-sulfonamide | Ligand Info | |||||
| Structure Description | BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-6-VEM | PDB:5JRQ | ||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | Yes | [17] |
| PDB Sequence |
FDDWEIPDGQ
456 ITVGQRIGSG466 SFGTVYKGKW476 HGDVAVKMLN486 VTAPTPQQLQ496 AFKNEVGVLR 506 KTRHVNILLF516 MGYSTKPQLA526 IVTQWCEGSS536 LYHHLHASET546 KFEMKKLIDI 556 ARQTARGMDY566 LHAKSIIHRD576 LKSNNIFLHE586 DNTVKIGDFG596 LATEKSRSIL 618 WMAPEVIRMN631 PYSFQSDVYA641 FGIVLYELMT651 GQLPYSNINN661 RDQIIEMVGR 671 GSLSPDLSKV681 RSNCPKRMKR691 LMAECLKKKR701 DERPSFPRIL711 AEIEELAR |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6N9 or .6N92 or .6N93 or :36N9;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:508 or .A:514 or .A:515 or .A:516 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:533 or .A:535 or .A:536 or .A:539 or .A:580 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.681
VAL471
3.451
ALA481
3.174
VAL482
3.924
LYS483
3.052
LEU505
3.156
THR508
4.531
LEU514
2.468
LEU515
3.798
PHE516
3.407
ILE527
2.963
VAL528
4.506
THR529
2.410
GLN530
3.102
|
|||||
| Ligand Name: N-[[4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-2-[2-[[4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methylamino]-2-oxoethoxy]acetamide | Ligand Info | |||||
| Structure Description | BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-BISAMIDE | PDB:5JT2 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [17] |
| PDB Sequence |
GSEFDDWEIP
453 DGQITVGQRI463 GSGSFGTVYK473 GKWHGDVAVK483 MLNVTAPTPQ493 QLQAFKNEVG 503 VLRKTRHVNI513 LLFMGYSTKP523 QLAIVTQWCE533 GSSLYHHLHA543 SETKFEMKKL 553 IDIARQTARG563 MDYLHAKSII573 HRDLKSNNIF583 LHEDNTVKIG593 DFGLATEKSR 603 WSILWMAPEV624 IPYSFQSDVY640 AFGIVLYELM650 TGQLPYSNIN660 DQIIEMVGRG 672 SLSPDLSKVR682 SNCPKRMKRL692 MAECLKKKRD702 ERPSFPRILA712 EIEELAR |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6NC or .6NC2 or .6NC3 or :36NC;style chemicals stick;color identity;select .A:461 or .A:462 or .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:514 or .A:515 or .A:516 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:533 or .A:535 or .A:536 or .A:539 or .A:580 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN461
2.797
ARG462
4.940
ILE463
3.237
VAL471
3.528
ALA481
3.045
VAL482
3.698
LYS483
3.181
LEU505
3.074
LEU514
2.692
LEU515
3.539
PHE516
3.281
ILE527
3.098
VAL528
4.862
THR529
2.447
|
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| Ligand Name: N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide | Ligand Info | |||||
| Structure Description | B-Raf Kinase V600E mutant in complex with a diarylthiazole B-Raf Inhibitor | PDB:4CQE | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [47] |
| PDB Sequence |
DWEIPDGQIT
458 VGQRIGSGGT470 VYKGKWHGDV480 AVKMLNVTAP490 TPQQLQAFKN500 EVGVLRKTRH 510 VNILLFMGYS520 TKPQLAIVTQ530 WCEGSSLYHH540 LHASETKFEM550 KKLIDIARQT 560 ARGMDYLHAK570 SIIHRDLKSN580 NIFLHEDNTV590 KIGDFGGSIL618 WMAPEVIRMQ 628 NPYSFQSDVY640 AFGIVLYELM650 TGQLPYSNIN660 NRDQIIEMVG670 RGSLSPDLSK 680 VRSNCPKRMK690 RLMAECLKKK700 RDERPSFPRI710 LAEIEELARE720 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CQE or .CQE2 or .CQE3 or :3CQE;style chemicals stick;color identity;select .A:463 or .A:464 or .A:465 or .A:471 or .A:481 or .A:483 or .A:501 or .A:505 or .A:513 or .A:514 or .A:515 or .A:516 or .A:517 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:533 or .A:534 or .A:580 or .A:581 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595 or .A:596; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.807
GLY464
4.578
SER465
4.216
VAL471
3.693
ALA481
3.645
LYS483
2.763
GLU501
4.771
LEU505
3.735
ILE513
4.782
LEU514
3.293
LEU515
4.275
PHE516
3.204
MET517
4.623
ILE527
3.231
VAL528
3.899
|
|||||
| Ligand Name: N-[3-[5-(2-aminopyrimidin-4-yl)-2-[(3S)-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | B-Raf V600E structure bound to a new inhibitor | PDB:7P3V | ||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | Yes | [48] |
| PDB Sequence |
FDDWEIPDGQ
456 ITVGQRIGSG466 SFGTVYKGKW476 HGDVAVKMLN486 VTAPTPQQLQ496 AFKNEVGVLR 506 KTRHVNILLF516 MGYSTKPQLA526 IVTQWCEGSS536 LYHHLHASET546 KFEMKKLIDI 556 ARQTARGMDY566 LHAKSIIHRD576 LKSNNIFLHE586 DNTVKIGDFG596 LGSILWMAPE 623 VIRMQDSNPY633 SFQSDVYAFG643 IVLYELMTGQ653 LPYSNINNRD663 QIIEMVGRGS 673 LSPDLSKVRS683 NCPKRMKRLM693 AECLKKKRDE703 RPSFPRILAE713 IEELAREA |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5I4 or .5I42 or .5I43 or :35I4;style chemicals stick;color identity;select .A:463 or .A:464 or .A:465 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:508 or .A:513 or .A:514 or .A:515 or .A:516 or .A:517 or .A:527 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:533 or .A:534 or .A:580 or .A:581 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
3.418
GLY464
2.494
SER465
3.761
VAL471
3.167
ALA481
3.331
VAL482
4.666
LYS483
3.487
LEU505
3.118
THR508
4.516
ILE513
3.820
LEU514
2.337
LEU515
3.441
PHE516
2.760
MET517
4.752
ILE527
3.233
|
|||||
| Ligand Name: N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine | Ligand Info | |||||
| Structure Description | BRAF in complex with compound 3 | PDB:4H58 | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [49] |
| PDB Sequence |
DDWEIPDGQI
456 TVGQRIGSGS466 FGTVYKGKWH476 GDVAVKMLNV486 TAPTPQQLQA496 FKNEVGVLRK 506 TRHVNILLFM516 GYSTKPQLAI526 VTQWCEGSSL536 YHHLHIIETK546 FEMIKLIDIA 556 RQTAQGMDYL566 HAKSIIHRDL576 KSNNIFLHED586 LTVKIGDFGL596 ATVKSGSILW 618 MAPEVIRMQD628 KNPYSFQSDV638 YAFGIVLYEL648 MTGQLPYSNI658 NNRDQIIFMV 668 GRGYLSPDLS678 KVRSNCPKAM688 KRLMAECLKK698 KRDERPLFPQ708 ILASIELLAR 718 SLP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .10Z or .10Z2 or .10Z3 or :310Z;style chemicals stick;color identity;select .A:462 or .A:470 or .A:480 or .A:482 or .A:500 or .A:513 or .A:528 or .A:529 or .A:530 or .A:531 or .A:533 or .A:534 or .A:538 or .A:542 or .A:543 or .A:582 or .A:592 or .A:593 or .A:594; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[(5-Chloro-7h-Pyrrolo[2,3-D]pyrimidin-4-Yl)amino]-N-Methyl-4-(Morpholin-4-Yl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | bRaf complexed with an inhibitor | PDB:4YHT | ||||
| Method | X-ray diffraction | Resolution | 3.05 Å | Mutation | Yes | [50] |
| PDB Sequence |
DWEIPDGQIT
457 VGQRIGSGSF467 GTVYKGKWHG477 DVAVKMLNVT487 APTPQQLQAF497 KNEVGVLRKT 507 RHVNILLFMG517 YSTKPQLAIV527 TQWCEGSSLY537 HHLHTNETKF547 EMTKLIDIAR 557 QTAQGMDYLH567 AKSIIHRDLK577 SNNIFLHEDL587 TVKIGDFGLA597 TVKGSILWMA 620 PEVIRMQDPY632 SFQSDVYAFG642 IVLYELMTGQ652 LPYSNINNRD662 QIIFMVGRGY 672 LSPDLSKVRS682 NCPKAMKRLM692 AECLKKKRDE702 RPTFPQILAS712 IETLAR |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4EF or .4EF2 or .4EF3 or :34EF;style chemicals stick;color identity;select .A:462 or .A:463 or .A:464 or .A:465 or .A:470 or .A:480 or .A:481 or .A:482 or .A:500 or .A:513 or .A:526 or .A:528 or .A:529 or .A:530 or .A:531 or .A:532 or .A:533 or .A:534 or .A:535 or .A:579 or .A:580 or .A:582 or .A:592 or .A:593 or .A:594; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE462
3.632
GLY463
4.275
SER464
3.755
GLY465
4.258
VAL470
3.531
ALA480
3.548
VAL481
3.819
LYS482
3.450
GLU500
4.274
LEU513
3.223
ILE526
3.709
THR528
2.927
GLN529
3.644
|
|||||
| Ligand Name: 2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide | Ligand Info | |||||
| Structure Description | Human B-Raf Kinase in Complex with an Amide Linked Pyrazolopyridine Inhibitor | PDB:3SKC | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [51] |
| PDB Sequence |
DDWEIPDGQI
457 TVGQRIGSGS467 FGTVYKGKWH477 GDVAVKMLNV487 TAPTPQQLQA497 FKNEVGVLRK 507 TRHVNILLFM517 GYSTKPQLAI527 VTQWCEGSSL537 YHHLHIIETK547 FEMIKLIDIA 557 RQTAQGMDYL567 HAKSIIHRDL577 KSNNIFLHED587 LTVKIGDFGL613 SGSILWMAPE 623 VIRMQDKNPY633 SFQSDVYAFG643 IVLYELMTGQ653 LPYSNINNRD663 QIIFMVGRGY 673 LSPDLSKVRS683 NCPKAMKRLM693 AECLKKKRDE703 RPLFPQILAS713 IELLARSLPK 723
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BR2 or .BR22 or .BR23 or :3BR2;style chemicals stick;color identity;select .A:463 or .A:471 or .A:481 or .A:482 or .A:483 or .A:505 or .A:508 or .A:513 or .A:514 or .A:515 or .A:516 or .A:527 or .A:529 or .A:530 or .A:531 or .A:532 or .A:534 or .A:583 or .A:592 or .A:593 or .A:594 or .A:595; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE463
4.166
VAL471
4.119
ALA481
3.315
VAL482
3.853
LYS483
3.479
LEU505
3.113
THR508
4.267
ILE513
4.065
LEU514
2.987
LEU515
4.699
PHE516
3.564
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Inhibitors of BRAF dimers using an allosteric site. Nat Commun. 2020 Sep 1;11(1):4370. | ||||
| REF 2 | RAF inhibitors that evade paradoxical MAPK pathway activation. Nature. 2015 Oct 22;526(7574):583-6. | ||||
| REF 3 | Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma. Nature. 2010 Sep 30;467(7315):596-9. | ||||
| REF 4 | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell. 2016 Apr 11;29(4):477-493. | ||||
| REF 5 | Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation. Proc Natl Acad Sci U S A. 2021 Sep 7;118(36):e2107207118. | ||||
| REF 6 | A Small Molecule RAS-Mimetic Disrupts RAS Association with Effector Proteins to Block Signaling. Cell. 2016 Apr 21;165(3):643-55. | ||||
| REF 7 | BGB-283, a Novel RAF Kinase and EGFR Inhibitor, Displays Potent Antitumor Activity in BRAF-Mutated Colorectal Cancers. Mol Cancer Ther. 2015 Oct;14(10):2187-97. | ||||
| REF 8 | Crystal structure of BRAF V600E oncogenic mutant in complex with TAK-580 | ||||
| REF 9 | Discovery of RAF265: A Potent mut-B-RAF Inhibitor for the Treatment of Metastatic Melanoma. ACS Med Chem Lett. 2015 Aug 3;6(9):961-5. | ||||
| REF 10 | Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers. Cancer Cell. 2015 Sep 14;28(3):384-98. | ||||
| REF 11 | ARAF mutations confer resistance to the RAF inhibitor belvarafenib in melanoma. Nature. 2021 Jun;594(7863):418-423. | ||||
| REF 12 | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity. Proc Natl Acad Sci U S A. 2008 Feb 26;105(8):3041-6. | ||||
| REF 13 | Design and Discovery of N-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic. J Med Chem. 2020 Mar 12;63(5):2013-2027. | ||||
| REF 14 | Structure of the BRAF-MEK complex reveals a kinase activity independent role for BRAF in MAPK signaling. Cancer Cell. 2014 Sep 8;26(3):402-413. | ||||
| REF 15 | Negative regulation of RAF kinase activity by ATP is overcome by 14-3-3-induced dimerization. Nat Struct Mol Biol. 2020 Feb;27(2):134-141. | ||||
| REF 16 | Inhibitors that stabilize a closed RAF kinase domain conformation induce dimerization. Nat Chem Biol. 2013 Jul;9(7):428-36. | ||||
| REF 17 | Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation. ACS Chem Biol. 2016 Oct 21;11(10):2876-2888. | ||||
| REF 18 | Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes. Nature. 2019 Nov;575(7783):545-550. | ||||
| REF 19 | Identification of a novel family of BRAF(V600E) inhibitors. J Med Chem. 2012 Jun 14;55(11):5220-30. | ||||
| REF 20 | Potent and selective pyrazole-based inhibitors of B-Raf kinase. Bioorg Med Chem Lett. 2008 Aug 15;18(16):4692-5. | ||||
| REF 21 | Non-oxime inhibitors of B-Raf(V600E) kinase. Bioorg Med Chem Lett. 2011 Feb 15;21(4):1243-7. | ||||
| REF 22 | The crystal structure of BRAF in complex with an organoruthenium inhibitor reveals a mechanism for inhibition of an active form of BRAF kinase. Biochemistry. 2009 Jun 16;48(23):5187-98. | ||||
| REF 23 | Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors. ACS Med Chem Lett. 2011 Mar 8;2(5):342-7. | ||||
| REF 24 | Potent and selective aminopyrimidine-based B-Raf inhibitors with favorable physicochemical and pharmacokinetic properties. J Med Chem. 2012 Mar 22;55(6):2869-81. | ||||
| REF 25 | The discovery of furo[2,3-c]pyridine-based indanone oximes as potent and selective B-Raf inhibitors. Bioorg Med Chem Lett. 2011 Feb 15;21(4):1248-52. | ||||
| REF 26 | Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase. Bioorg Med Chem Lett. 2014 Apr 15;24(8):1923-7. | ||||
| REF 27 | Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: rational design and kinase selectivity profile of cell potent type II inhibitors. Bioorg Med Chem Lett. 2012 Oct 1;22(19):6237-41. | ||||
| REF 28 | Non-oxime pyrazole based inhibitors of B-Raf kinase. Bioorg Med Chem Lett. 2011 Jun 1;21(11):3488-92. | ||||
| REF 29 | The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-RafV600E kinase. Bioorg Med Chem Lett. 2012 May 15;22(10):3387-91. | ||||
| REF 30 | Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors. Bioorg Med Chem Lett. 2009 Dec 1;19(23):6519-23. | ||||
| REF 31 | Imidazo[4,5-b]pyridine inhibitors of B-Raf kinase. Bioorg Med Chem Lett. 2013 Nov 1;23(21):5896-9. | ||||
| REF 32 | Selective inhibitors of the mutant B-Raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline. J Med Chem. 2009 Oct 22;52(20):6189-92 | ||||
| REF 33 | Purinylpyridinylamino-based DFG-in/AlphaC-helix-out B-Raf inhibitors: Applying mutant versus wild-type B-Raf selectivity indices for compound profiling. Bioorg Med Chem. 2016 May 15;24(10):2215-34. | ||||
| REF 34 | An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling | ||||
| REF 35 | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3H)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. J Med Chem. 2021 Apr 8;64(7):3940-3955. | ||||
| REF 36 | Effects of rigidity on the selectivity of protein kinase inhibitors. Eur J Med Chem. 2018 Feb 25;146:519-528. | ||||
| REF 37 | Discovery of a selective kinase inhibitor (TAK-632) targeting pan-RAF inhibition: design, synthesis, and biological evaluation of C-7-substituted 1,3-benzothiazole derivatives. J Med Chem. 2013 Aug 22;56(16):6478-94. | ||||
| REF 38 | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives. Bioorg Med Chem. 2012 Sep 15;20(18):5600-15. | ||||
| REF 39 | Rigidification Dramatically Improves Inhibitor Selectivity for RAF Kinases. ACS Med Chem Lett. 2019 Jun 4;10(7):1074-1080. | ||||
| REF 40 | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds. J Med Chem. 2012 Apr 12;55(7):3452-78. | ||||
| REF 41 | Functional characterization of a PROTAC directed against BRAF mutant V600E. Nat Chem Biol. 2020 Nov;16(11):1170-1178. | ||||
| REF 42 | A Novel RAF Kinase Inhibitor with DFG-Out-Binding Mode: High Efficacy in BRAF-Mutant Tumor Xenograft Models in the Absence of Normal Tissue Hyperproliferation. Mol Cancer Ther. 2016 Mar;15(3):354-65. | ||||
| REF 43 | Design and optimization of potent and orally bioavailable tetrahydronaphthalene Raf inhibitors. J Med Chem. 2011 Mar 24;54(6):1836-46. | ||||
| REF 44 | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers. J Med Chem. 2017 Jun 22;60(12):4869-4881. | ||||
| REF 45 | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors. Bioorg Med Chem Lett. 2017 Dec 1;27(23):5221-5224. | ||||
| REF 46 | Demonstration of a genetic therapeutic index for tumors expressing oncogenic BRAF by the kinase inhibitor SB-590885. Cancer Res. 2006 Dec 1;66(23):11100-5. | ||||
| REF 47 | Optimization of diarylthiazole B-raf inhibitors: identification of a compound endowed with high oral antitumor activity, mitigated hERG inhibition, and low paradoxical effect. ChemMedChem. 2015 Feb;10(2):276-95. | ||||
| REF 48 | Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding. J Med Chem. 2022 Jan 27;65(2):1552-1566. | ||||
| REF 49 | Discovery and optimization of a novel series of potent mutant B-Raf(V600E) selective kinase inhibitors. J Med Chem. 2013 Mar 14;56(5):1996-2015. | ||||
| REF 50 | GSK114: A selective inhibitor for elucidating the biological role of TNNI3K. Bioorg Med Chem Lett. 2016 Jul 15;26(14):3355-3358. | ||||
| REF 51 | Pyrazolopyridine inhibitors of B-RafV600E. Part 2: structure-activity relationships. Bioorg Med Chem Lett. 2011 Sep 15;21(18):5533-7. | ||||
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