Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T97589 Target Info
Target Name Apoptosis signal-regulating kinase 1 (MAP3K5)
Synonyms Mitogen-activated protein kinase kinase kinase 5; MEKK5; MEKK 5; MEK kinase 5; MAPKKK5; MAPK/ERK kinase kinase 5; ASK1; ASK-1
Target Type Clinical trial Target
Gene Name MAP3K5
Biochemical Class Kinase
UniProt ID
M3K5_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: GS-4997 Ligand Info
Structure Description ASK1 kinase domain in complex with GS-4997 PDB:6OYT
Method X-ray diffraction Resolution 2.82 Å Mutation No [1]
PDB Sequence
MESDLLEYDY
675
EYDENGDRVV
685
LGKGTYGIVY
695
AGRDLSNQVR
705
IAIKEIPERQ
720

PLHEEIALHK
730
HLKHKNIVQY
740
LGSFSENGFI
750
KIFMEQVPGG
760
SLSALLRSKW
770

GPLKDNEQTI
780
GFYTKQILEG
790
LKYLHDNQIV
800
HRDIKGDNVL
810
INTYSGVLKI
820

SDFGTSKRLG
859
KAADIWSLGC
869
TIIEMATGKP
879
PVHPEIPESM
907
SAEAKAFILK
917

CFEPDPDKRA
927
CANDLLVDEF
937
LK
Residue
Distance (Å)
LEU686
2.977
GLY687
3.570
LYS688
3.665
GLY689
3.660
VAL694
3.496
ALA707
3.564
LYS709
3.335
GLU725
4.958
VAL738
4.080
MET754
3.819
GLU755
3.311
GLN756
3.371
Residue
Distance (Å)
VAL757
2.606
PRO758
3.957
GLY759
3.217
GLY760
3.548
SER761
4.691
ASP807
3.553
ASN808
4.558
LEU810
3.345
TYR814
4.078
SER821
3.103
ASP822
3.511
Ligand Name: Staurosporine Ligand Info
Structure Description Crystal Structures of Ask1-inhibitor Complexes PDB:4BF2
Method X-ray diffraction Resolution 2.11 Å Mutation Yes [2]
PDB Sequence
LEYDYEYDEN
680
GDRVVLGKGT
690
YGIVYAGRDL
700
SNQVRIAIKE
710
IPEEEIALHK
730

HLKHKNIVQY
740
LGSFSENGFI
750
KIFMEQVPGG
760
SLSALLRSKW
770
GPLKDNEQTI
780

GFYTKQILEG
790
LKYLHDNQIV
800
HRDIKGDNVL
810
INTYSGVLKI
820
SDFGTSKRLA
830

EEFTGTLQYM
846
APEIIDKGPR
856
GYGKAADIWS
866
LGCTIIEMAT
876
GKPPFYELGE
886

PQAAMFKVGM
896
FKVHPEIPES
906
MSAEAKAFIL
916
KCFEPDPDKR
926
ACANDLLVDE
936

FLK
Residue
Distance (Å)
LEU686
3.347
GLY687
3.246
LYS688
3.405
GLY689
3.742
VAL694
3.635
ALA707
3.370
LYS709
4.210
VAL738
3.859
MET754
3.746
GLU755
2.773
GLN756
3.371
Residue
Distance (Å)
VAL757
2.789
GLY759
3.965
GLY760
3.800
SER761
3.893
SER763
4.583
ASP807
2.676
ASN808
3.873
LEU810
3.370
SER821
3.126
ASP822
3.367
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: Phosphonothreonine Ligand Info
Structure Description ASK1 kinase domain complex with inhibitor PDB:6E2N
Method X-ray diffraction Resolution 2.10 Å Mutation No [3]
PDB Sequence
LLEYDYEYDE
679
NGDRVVLGKG
689
TYGIVYAGRD
699
LSNQVRIAIK
709
EIPERYSQPL
722

HEEIALHKHL
732
KHKNIVQYLG
742
SFSENGFIKI
752
FMEQVPGGSL
762
SALLRSKWGP
772

LKDNEQTIGF
782
YTKQILEGLK
792
YLHDNQIVHR
802
DIKGDNVLIN
812
TYSGVLKISD
822

FGTSKRLAGC
835
TEFTGTLQYM
846
APEIIDKGPR
856
GYGKAADIWS
866
LGCTIIEMAT
876

GKPPFYELGE
886
PQAAMFKVGM
896
FKVHPEIPES
906
MSAEAKAFIL
916
KCFEPDPDKR
926

ACANDLLVDE
936
FLK
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:802 or .A:827 or .A:836 or .A:837 or .A:839 or .A:840 or .A:850 or .A:853 or .A:858; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ARG802
2.378
LYS827
2.660
THR836
2.521
GLU837
1.336
PHE839
1.326
Residue
Distance (Å)
THR840
3.331
ILE850
4.432
LYS853
3.077
TYR858
2.935
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: PMID23147077C10 Ligand Info
Structure Description Crystal structure of human apoptosis signal-regulating kinase 1 (ASK1) with imidazopyridine inhibitor PDB:3VW6
Method X-ray diffraction Resolution 2.40 Å Mutation No [4]
PDB Sequence
LEYDYEYDEN
680
GDRVVLGKGT
690
YGIVYAGRDL
700
SNQVRIAIKE
710
IPEQPLHEEI
726

ALHKHLKHKN
736
IVQYLGSFSE
746
NGFIKIFMEQ
756
VPGGSLSALL
766
RSKWGPLKDN
776

EQTIGFYTKQ
786
ILEGLKYLHD
796
NQIVHRDIKG
806
DNVLINTYSG
816
VLKISDFGTS
826

KRLTFTGTLQ
844
YMAPEIIDKG
854
PRGYGKAADI
864
WSLGCTIIEM
874
ATGKPPFYEL
884

GEPQAAMFKV
894
GMFKVHPEIP
904
ESMSAEAKAF
914
ILKCFEPDPD
924
KRACANDLLV
934

DEFLK
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IM6 or .IM62 or .IM63 or :3IM6;style chemicals stick;color identity;select .A:686 or .A:688 or .A:689 or .A:694 or .A:707 or .A:709 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:758 or .A:759 or .A:760 or .A:769 or .A:810 or .A:814 or .A:821 or .A:822; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.833
LYS688
4.915
GLY689
3.912
VAL694
3.646
ALA707
3.863
LYS709
3.227
VAL738
4.441
MET754
3.626
GLU755
3.496
GLN756
3.542
Residue
Distance (Å)
VAL757
3.022
PRO758
3.896
GLY759
3.599
GLY760
3.653
LYS769
4.097
LEU810
3.349
TYR814
4.274
SER821
3.396
ASP822
3.906
Ligand Name: 4-Tert-Butyl-N-[6-(1h-Pyrazol-4-Yl)imidazo[1,2-A]pyridin-2-Yl]benzamide Ligand Info
Structure Description Crystal Structures of Ask1-inhibitor Complexes PDB:4BHN
Method X-ray diffraction Resolution 2.30 Å Mutation Yes [2]
PDB Sequence
LLEYDYEYDE
679
NGDRVVLGKG
689
TYGIVYAGRD
699
LSNQVRIAIK
709
EIPEPLHEEI
726

ALHKHLKHKN
736
IVQYLGSFSE
746
NGFIKIFMEQ
756
VPGGSLSALL
766
RSKWGPLKDN
776

EQTIGFYTKQ
786
ILEGLKYLHD
796
NQIVHRDIKG
806
DNVLINTYSG
816
VLKISDFGTS
826

KRLEFTGTLQ
844
YMAPEIIDKG
854
PRGYGKAADI
864
WSLGCTIIEM
874
ATGKPPFYEL
884

GEPQAAMFKV
894
GMFKVHPEIP
904
ESMSAEAKAF
914
ILKCFEPDPD
924
KRACANDLLV
934

DEFLKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BH9 or .BH92 or .BH93 or :3BH9;style chemicals stick;color identity;select .A:686 or .A:689 or .A:694 or .A:707 or .A:709 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:758 or .A:759 or .A:760 or .A:810 or .A:814 or .A:821 or .A:822; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.780
GLY689
4.338
VAL694
3.651
ALA707
3.614
LYS709
3.294
VAL738
4.122
MET754
3.570
GLU755
3.328
GLN756
3.575
Residue
Distance (Å)
VAL757
2.750
PRO758
3.894
GLY759
3.503
GLY760
3.503
LEU810
3.544
TYR814
4.066
SER821
4.153
ASP822
3.399
Ligand Name: N-(2-Aminoethyl)-5-{2-Methyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl}thiophene-2-Sulfonamide Ligand Info
Structure Description Crystal Structures of Ask1-inhibitor Complexes PDB:4BIE
Method X-ray diffraction Resolution 2.36 Å Mutation Yes [2]
PDB Sequence
LLEYDYEYDE
679
NGDRVVLGKG
689
TYGIVYAGRD
699
LSNQVRIAIK
709
EIPELHEEIA
727

LHKHLKHKNI
737
VQYLGSFSEN
747
GFIKIFMEQV
757
PGGSLSALLR
767
SKWGPLKDNE
777

QTIGFYTKQI
787
LEGLKYLHDN
797
QIVHRDIKGD
807
NVLINTYSGV
817
LKISDFGTSK
827

RLAGEFTGTL
843
QYMAPEIIDK
853
GPRGYGKAAD
863
IWSLGCTIIE
873
MATGKPPFYE
883

LGEPQAAMFK
893
VGMFKVHPEI
903
PESMSAEAKA
913
FILKCFEPDP
923
DKRACANDLL
933

VDEFLKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IE6 or .IE62 or .IE63 or :3IE6;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:689 or .A:690 or .A:692 or .A:694 or .A:707 or .A:709 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:759 or .A:760 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.797
GLY687
3.256
LYS688
3.051
GLY689
3.282
THR690
3.979
GLY692
4.879
VAL694
3.449
ALA707
3.462
LYS709
3.162
VAL738
4.292
MET754
4.207
Residue
Distance (Å)
GLU755
3.158
GLN756
3.735
VAL757
3.004
GLY759
4.149
GLY760
4.149
ASP807
4.363
ASN808
3.007
LEU810
3.506
SER821
3.921
ASP822
2.760
Ligand Name: 3-Cyano-4-(Piperidin-4-Yloxy)-1h-Indole-7-Carboxamide Ligand Info
Structure Description Crystal Structures of Ask1-inhibitor Complexes PDB:4BIB
Method X-ray diffraction Resolution 2.43 Å Mutation Yes [2]
PDB Sequence
LLEYDYEYDE
679
NGDRVVLGKG
689
TYGIVYAGRD
699
LSNQVRIAIK
709
EIPELHEEIA
727

LHKHLKHKNI
737
VQYLGSFSEN
747
GFIKIFMEQV
757
PGGSLSALLR
767
SKWGPLKDNE
777

QTIGFYTKQI
787
LEGLKYLHDN
797
QIVHRDIKGD
807
NVLINTYSGV
817
LKISDFGTSK
827

REEFTGTLQY
845
MAPEIIDKGP
855
RGYGKAADIW
865
SLGCTIIEMA
875
TGKPPFYELG
885

EPQAAMFKVG
895
MFKVHPEIPE
905
SMSAEAKAFI
915
LKCFEPDPDK
925
RACANDLLVD
935

EFLK
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IEO or .IEO2 or .IEO3 or :3IEO;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:689 or .A:694 or .A:707 or .A:709 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:760 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.763
GLY687
4.076
LYS688
3.912
GLY689
3.901
VAL694
3.721
ALA707
3.560
LYS709
4.709
VAL738
4.281
MET754
3.647
Residue
Distance (Å)
GLU755
3.781
GLN756
3.469
VAL757
2.755
GLY760
4.793
ASP807
3.036
ASN808
3.756
LEU810
3.420
SER821
3.301
ASP822
2.581
Ligand Name: N-(2-Aminoethyl)-5-{1h-Pyrrolo[2,3-B]pyridin-3-Yl}thiophene-2-Sulfonamide Ligand Info
Structure Description Crystal Structures of Ask1-inhibitor Complexes PDB:4BIC
Method X-ray diffraction Resolution 2.62 Å Mutation Yes [2]
PDB Sequence
LLEYDYEYDE
679
NGDRVVLGKG
689
TYGIVYAGRD
699
LSNQVRIAIK
709
EIPESQPLHE
724

EIALHKHLKH
734
KNIVQYLGSF
744
SENGFIKIFM
754
EQVPGGSLSA
764
LLRSKWGPLK
774

DNEQTIGFYT
784
KQILEGLKYL
794
HDNQIVHRDI
804
KGDNVLINTY
814
SGVLKISDFG
824

TSKRLAGEFT
840
GTLQYMAPEI
850
IDKGPRGYGK
860
AADIWSLGCT
870
IIEMATGKPP
880

FYELGEPQAA
890
MFKVGMFKVH
900
PEIPESMSAE
910
AKAFILKCFE
920
PDPDKRACAN
930

DLLVDEFLKV
940
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IE4 or .IE42 or .IE43 or :3IE4;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:689 or .A:692 or .A:694 or .A:707 or .A:709 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:761 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.956
GLY687
3.279
LYS688
3.201
GLY689
3.356
GLY692
4.578
VAL694
3.474
ALA707
3.402
LYS709
3.425
VAL738
3.884
MET754
3.917
Residue
Distance (Å)
GLU755
2.887
GLN756
3.622
VAL757
2.928
SER761
4.760
ASP807
3.497
ASN808
3.954
LEU810
3.401
SER821
3.923
ASP822
3.548
Ligand Name: 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine Ligand Info
Structure Description Crystal Structures of Ask1-inhibitor Complexes PDB:4BID
Method X-ray diffraction Resolution 2.80 Å Mutation Yes [2]
PDB Sequence
LLEYDYEYDE
679
NGDRVVLGKG
689
TYGIVYAGRD
699
LSNQVRIAIK
709
EIPELHEEIA
727

LHKHLKHKNI
737
VQYLGSFSEN
747
GFIKIFMEQV
757
PGGSLSALLR
767
SKWGPLKDNE
777

QTIGFYTKQI
787
LEGLKYLHDN
797
QIVHRDIKGD
807
NVLINTYSGV
817
LKISDFGTSK
827

REEFTGTLQY
845
MAPEIIDKGP
855
RGYGKAADIW
865
SLGCTIIEMA
875
TGKPPFYELG
885

EPQAAMFKVG
895
MFKVHPEIPE
905
SMSAEAKAFI
915
LKCFEPDPDK
925
RACANDLLVD
935

EFLK
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IE8 or .IE82 or .IE83 or :3IE8;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:689 or .A:690 or .A:694 or .A:707 or .A:708 or .A:709 or .A:738 or .A:752 or .A:753 or .A:754 or .A:755 or .A:756 or .A:757 or .A:761 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.337
GLY687
3.516
LYS688
4.323
GLY689
3.913
THR690
4.472
VAL694
3.814
ALA707
3.023
ILE708
4.607
LYS709
3.299
VAL738
3.507
ILE752
3.119
Residue
Distance (Å)
PHE753
4.370
MET754
3.284
GLU755
2.915
GLN756
3.564
VAL757
3.197
SER761
4.372
ASP807
3.509
ASN808
2.628
LEU810
3.462
SER821
3.863
ASP822
3.159
Ligand Name: N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide Ligand Info
Structure Description ASK1 kinase domain complex with inhibitor PDB:6E2N
Method X-ray diffraction Resolution 2.10 Å Mutation No [3]
PDB Sequence
LLEYDYEYDE
679
NGDRVVLGKG
689
TYGIVYAGRD
699
LSNQVRIAIK
709
EIPERYSQPL
722

HEEIALHKHL
732
KHKNIVQYLG
742
SFSENGFIKI
752
FMEQVPGGSL
762
SALLRSKWGP
772

LKDNEQTIGF
782
YTKQILEGLK
792
YLHDNQIVHR
802
DIKGDNVLIN
812
TYSGVLKISD
822

FGTSKRLAGC
835
TEFTGTLQYM
846
APEIIDKGPR
856
GYGKAADIWS
866
LGCTIIEMAT
876

GKPPFYELGE
886
PQAAMFKVGM
896
FKVHPEIPES
906
MSAEAKAFIL
916
KCFEPDPDKR
926

ACANDLLVDE
936
FLK
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KK8 or .KK82 or .KK83 or :3KK8;style chemicals stick;color identity;select .A:686 or .A:688 or .A:689 or .A:694 or .A:705 or .A:707 or .A:709 or .A:725 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:758 or .A:759 or .A:760 or .A:761 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.244
LYS688
4.288
GLY689
3.514
VAL694
3.829
ARG705
4.669
ALA707
3.684
LYS709
3.004
GLU725
4.564
VAL738
3.651
MET754
3.601
GLU755
3.433
Residue
Distance (Å)
GLN756
3.459
VAL757
2.926
PRO758
3.867
GLY759
3.703
GLY760
3.643
SER761
4.939
ASP807
3.454
ASN808
3.440
LEU810
3.526
SER821
3.459
ASP822
3.333
Ligand Name: N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide Ligand Info
Structure Description ASK1 kinase domain complex with inhibitor PDB:6E2M
Method X-ray diffraction Resolution 2.25 Å Mutation No [3]
PDB Sequence
LLEYDYEYDE
679
NGDRVVLGKG
689
TYGIVYAGRD
699
LSNQVRIAIK
709
EIPYSQPLHE
724

EIALHKHLKH
734
KNIVQYLGSF
744
SENFIKIFME
755
QVPGGSLSAL
765
LRSKWGPLKD
775

NEQTIGFYTK
785
QILEGLKYLH
795
DNQIVHRDIK
805
GDNVLINTYS
815
GVLKISDFGT
825

SKRLAPCTEF
839
TGTLQYMAPE
849
IIDKGPRGYG
859
KAADIWSLGC
869
TIIEMATGKP
879

PFYELGEPQA
889
AMFKVGMFKV
899
HPEIPESMSA
909
EAKAFILKCF
919
EPDPDKRACA
929

NDLLVDEFLK
939
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KK7 or .KK72 or .KK73 or :3KK7;style chemicals stick;color identity;select .A:686 or .A:688 or .A:689 or .A:694 or .A:707 or .A:709 or .A:725 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:759 or .A:760 or .A:761 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.496
LYS688
4.003
GLY689
3.858
VAL694
3.862
ALA707
3.782
LYS709
2.848
GLU725
4.746
VAL738
3.758
MET754
3.509
GLU755
3.575
Residue
Distance (Å)
GLN756
3.577
VAL757
2.881
GLY759
4.760
GLY760
3.861
SER761
4.831
ASP807
3.738
ASN808
3.857
LEU810
3.551
SER821
3.527
ASP822
3.279
Ligand Name: Ask1-IN-1 Ligand Info
Structure Description ASK1 kinase domain complex with inhibitor PDB:6E2O
Method X-ray diffraction Resolution 2.39 Å Mutation No [3]
PDB Sequence
LLEYDYEYDE
679
NGDRVVLGKG
689
TYGIVYAGRD
699
LSNQVRIAIK
709
EIPESRYSQP
721

LHEEIALHKH
731
LKHKNIVQYL
741
GSFSENGFIK
751
IFMEQVPGGS
761
LSALLRSKWG
771

PLKDNEQTIG
781
FYTKQILEGL
791
KYLHDNQIVH
801
RDIKGDNVLI
811
NTYSGVLKIS
821

DFGTSKRLAC
835
TEFTGTLQYM
846
APEIIDKGPR
856
GYGKAADIWS
866
LGCTIIEMAT
876

GKPPFYELGE
886
PQAAMFKVGM
896
FKVHPEIPES
906
MSAEAKAFIL
916
KCFEPDPDKR
926

ACANDLLVDE
936
FLK
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S0L or .S0L2 or .S0L3 or :3S0L;style chemicals stick;color identity;select .A:686 or .A:688 or .A:689 or .A:694 or .A:705 or .A:707 or .A:709 or .A:725 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:758 or .A:759 or .A:760 or .A:807 or .A:808 or .A:810 or .A:814 or .A:821 or .A:822; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.271
LYS688
3.745
GLY689
3.589
VAL694
3.912
ARG705
4.776
ALA707
3.696
LYS709
3.028
GLU725
4.623
VAL738
3.675
MET754
3.463
GLU755
3.513
Residue
Distance (Å)
GLN756
3.254
VAL757
2.835
PRO758
3.724
GLY759
3.323
GLY760
3.940
ASP807
3.401
ASN808
3.692
LEU810
3.533
TYR814
4.021
SER821
3.437
ASP822
3.314
Ligand Name: (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide Ligand Info
Structure Description Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp3 character and an exquisite selectivity profile PDB:6XIH
Method X-ray diffraction Resolution 2.65 Å Mutation No [5]
PDB Sequence
LEYDYEYDEN
680
GDRVVLGKGT
690
YGIVYAGRDL
700
SNQVRIAIKE
710
IPERSQPLHE
724

EIALHKHLKH
734
KNIVQYLGSF
744
SENGFIKIFM
754
EQVPGGSLSA
764
LLRSKWGPLK
774

DNEQTIGFYT
784
KQILEGLKYL
794
HDNQIVHRDI
804
KGDNVLINTY
814
SGVLKISDFG
824

TSKRLTFTGT
842
LQYMAPEIID
852
KGPRGYGKAA
862
DIWSLGCTII
872
EMATGKPPFY
882

ELGEPQAAMF
892
KVGMFKVHPE
902
IPESMSAEAK
912
AFILKCFEPD
922
PDKRACANDL
932

LVDEFLKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V3S or .V3S2 or .V3S3 or :3V3S;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:689 or .A:694 or .A:707 or .A:709 or .A:725 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:759 or .A:760 or .A:761 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.282
GLY687
3.858
LYS688
4.202
GLY689
3.754
VAL694
3.581
ALA707
3.506
LYS709
3.051
GLU725
4.866
VAL738
3.563
MET754
3.604
GLU755
3.322
Residue
Distance (Å)
GLN756
3.492
VAL757
2.918
GLY759
3.430
GLY760
3.761
SER761
3.984
ASP807
3.367
ASN808
3.841
LEU810
3.283
SER821
3.598
ASP822
3.361
Ligand Name: (7S)-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one Ligand Info
Structure Description ASK1 kinase domain in complex with Compound 11 PDB:6OYW
Method X-ray diffraction Resolution 2.60 Å Mutation Yes [1]
PDB Sequence
LEYDYEYDEN
680
GDRVVLGKGT
690
YGIVYAGRDL
700
SNQVRIAIKE
710
IPERDSRYSQ
720

PLHEEIALHK
730
HLKHKNIVQY
740
LGSFSENGFI
750
KIFMEQVPGG
760
SLSALLRSKW
770

GPLKDNEQTI
780
GFYTKQILEG
790
LKYLHDNQIV
800
HRDIKGDNVL
810
INTYSGVLKI
820

SDFGTSKRLC
835
TEEFTGTLQY
845
MAPEIIDKGY
858
GKAADIWSLG
868
CTIIEMATGK
878

PPFYELGEPQ
888
AAMFKVGMFK
898
VHPEIPESMS
908
AEAKAFILKC
918
FEPDPDKRAC
928

ANDLLVDEFL
938
K
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NKJ or .NKJ2 or .NKJ3 or :3NKJ;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:689 or .A:694 or .A:707 or .A:709 or .A:725 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:759 or .A:760 or .A:761 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.267
GLY687
4.236
LYS688
3.793
GLY689
3.680
VAL694
3.980
ALA707
3.662
LYS709
2.980
GLU725
4.877
VAL738
3.541
MET754
3.545
GLU755
3.241
Residue
Distance (Å)
GLN756
3.247
VAL757
2.942
GLY759
4.777
GLY760
3.645
SER761
4.707
ASP807
3.464
ASN808
3.396
LEU810
3.410
SER821
3.451
ASP822
3.333
Ligand Name: 2-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-5-sulfamoylbenzamide Ligand Info
Structure Description Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 6) PDB:5VIL
Method X-ray diffraction Resolution 2.64 Å Mutation No [6]
PDB Sequence
LLEYDYEYDE
679
NGDRVVLGKG
689
TYGIVYAGRD
699
LSNQVRIAIK
709
EIPERDSRYS
719

QPLHEEIALH
729
KHLKHKNIVQ
739
YLGSFSENGF
749
IKIFMEQVPG
759
GSLSALLRSK
769

WGPLKDNEQT
779
IGFYTKQILE
789
GLKYLHDNQI
799
VHRDIKGDNV
809
LINTYSGVLK
819

ISDFGTSKRL
829
AGINPCTETF
839
TGTLQYMAPE
849
IIDKGPRGYG
859
KAADIWSLGC
869

TIIEMATGKP
879
PFYELGEPQA
889
AMFKVGMFKV
899
HPEIPESMSA
909
EAKAFILKCF
919

EPDPDKRACA
929
NDLLVDEFLK
939
V
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9E1 or .9E12 or .9E13 or :39E1;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:689 or .A:690 or .A:694 or .A:707 or .A:709 or .A:725 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:758 or .A:759 or .A:760 or .A:761 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
2.594
GLY687
3.273
LYS688
2.721
GLY689
2.898
THR690
4.668
VAL694
3.301
ALA707
3.530
LYS709
2.809
GLU725
4.741
VAL738
2.988
MET754
2.839
GLU755
2.586
Residue
Distance (Å)
GLN756
2.003
VAL757
2.760
PRO758
3.370
GLY759
2.687
GLY760
3.453
SER761
2.948
ASP807
2.382
ASN808
3.037
LEU810
3.442
SER821
2.720
ASP822
2.925
Ligand Name: 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide Ligand Info
Structure Description Crystal structure of ASK1 kinase domain with a potent inhibitor (analog 13) PDB:5VIO
Method X-ray diffraction Resolution 2.84 Å Mutation No [6]
PDB Sequence
LLEYDYEYDE
679
NGDRVVLGKG
689
TYGIVYAGRD
699
LSNQVRIAIK
709
EIPERDSRYS
719

QPLHEEIALH
729
KHLKHKNIVQ
739
YLGSFSENGF
749
IKIFMEQVPG
759
GSLSALLRSK
769

WGPLKDNEQT
779
IGFYTKQILE
789
GLKYLHDNQI
799
VHRDIKGDNV
809
LINTYSGVLK
819

ISDFGTSKRL
829
AGINPCTETF
839
TGTLQYMAPE
849
IIDKGPRGYG
859
KAADIWSLGC
869

TIIEMATGKP
879
PFYELGEPQA
889
AMFKVGMFKV
899
HPEIPESMSA
909
EAKAFILKCF
919

EPDPDKRACA
929
NDLLVDEFLK
939
V
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9E4 or .9E42 or .9E43 or :39E4;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:689 or .A:690 or .A:694 or .A:707 or .A:709 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:758 or .A:759 or .A:760 or .A:761 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
2.737
GLY687
3.305
LYS688
2.760
GLY689
2.876
THR690
4.738
VAL694
2.992
ALA707
3.523
LYS709
3.021
VAL738
3.336
MET754
2.878
GLU755
2.618
Residue
Distance (Å)
GLN756
2.857
VAL757
2.702
PRO758
3.040
GLY759
1.818
GLY760
3.710
SER761
3.029
ASP807
2.519
ASN808
3.443
LEU810
3.391
SER821
2.457
ASP822
3.127
Ligand Name: N-(6-(4-Isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-3-methoxy-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide Ligand Info
Structure Description Structure of ASK1 bound to BIO-1772961 PDB:6VRE
Method X-ray diffraction Resolution 2.29 Å Mutation No [7]
PDB Sequence
LEYDYEYDEN
680
GDRVVLGKGT
690
YGIVYAGRDL
700
SNQVRIAIKE
710
IPERDSSQPL
722

HEEIALHKHL
732
KHKNIVQYLG
742
SFSENGFIKI
752
FMEQVPGGSL
762
SALLRSKWGP
772

LKDNEQTIGF
782
YTKQILEGLK
792
YLHDNQIVHR
802
DIKGDNVLIN
812
TYSGVLKISD
822

FGTSKRLEEF
839
TGTLQYMAPE
849
IIDKGPRGYG
859
KAADIWSLGC
869
TIIEMATGKP
879

PFYELGEPQA
889
AMFKVGMFKV
899
HPEIPESMSA
909
EAKAFILKCF
919
EPDPDKRACA
929

NDLLVDEFLK
939
V
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RFG or .RFG2 or .RFG3 or :3RFG;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:689 or .A:694 or .A:707 or .A:709 or .A:725 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:758 or .A:759 or .A:760 or .A:761 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.233
GLY687
3.748
LYS688
3.827
GLY689
3.630
VAL694
3.745
ALA707
3.565
LYS709
2.700
GLU725
4.557
VAL738
3.433
MET754
3.413
GLU755
3.235
Residue
Distance (Å)
GLN756
3.453
VAL757
2.793
PRO758
4.370
GLY759
3.218
GLY760
3.701
SER761
4.221
ASP807
3.426
ASN808
3.639
LEU810
3.322
SER821
3.532
ASP822
3.567
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: (R)-2-(6-(4-(1-Hydroxypropan-2-yl)-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-6-isopropoxyisoindolin-1-one Ligand Info
Structure Description Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure PDB:5UOX
Method X-ray diffraction Resolution 2.50 Å Mutation No [8]
PDB Sequence
LLEYDYEYDE
679
NGDRVVLGKG
689
TYGIVYAGRD
699
LSNQVRIAIK
709
EIPERDSRYS
719

QPLHEEIALH
729
KHLKHKNIVQ
739
YLGSFSENGF
749
IKIFMEQVPG
759
GSLSALLRSK
769

WGPLKDNEQT
779
IGFYTKQILE
789
GLKYLHDNQI
799
VHRDIKGDNV
809
LINTYSGVLK
819

ISDFGTSKRL
829
TFTGTLQYMA
847
PEIIDKGPRG
857
YGKAADIWSL
867
GCTIIEMATG
877

KPPFYELGEP
887
QAAMFKVGMF
897
KVHPEIPESM
907
SAEAKAFILK
917
CFEPDPDKRA
927

CANDLLVDEF
937
LKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8GY or .8GY2 or .8GY3 or :38GY;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:689 or .A:694 or .A:707 or .A:709 or .A:725 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:758 or .A:759 or .A:760 or .A:761 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.318
GLY687
3.946
LYS688
3.510
GLY689
3.569
VAL694
3.828
ALA707
3.620
LYS709
2.871
GLU725
4.791
VAL738
3.603
MET754
3.436
GLU755
3.351
Residue
Distance (Å)
GLN756
3.331
VAL757
2.737
PRO758
4.478
GLY759
3.587
GLY760
3.519
SER761
4.792
ASP807
3.293
ASN808
2.793
LEU810
3.337
SER821
2.678
ASP822
3.594
Ligand Name: 2-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]-N-(Pyridin-2-Yl)-1,3-Thiazole-4-Carboxamide Ligand Info
Structure Description Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization strategy PDB:5V24
Method X-ray diffraction Resolution 2.50 Å Mutation No [9]
PDB Sequence
LEYDYEYDEN
680
GDRVVLGKGT
690
YGIVYAGRDL
700
SNQVRIAIKE
710
IPERDSPLHE
724

EIALHKHLKH
734
KNIVQYLGSF
744
SENGFIKIFM
754
EQVPGGSLSA
764
LLRSKWGPLK
774

DNEQTIGFYT
784
KQILEGLKYL
794
HDNQIVHRDI
804
KGDNVLINTY
814
SGVLKISDFG
824

TSKRLFTGTL
843
QYMAPEIIDY
858
GKAADIWSLG
868
CTIIEMATGK
878
PPFYEEPQAA
890

MFKVGMFKVH
900
PEIPESMSAE
910
AKAFILKCFE
920
PDPDKRACAN
930
DLLVDEFLK
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8V7 or .8V72 or .8V73 or :38V7;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:689 or .A:694 or .A:707 or .A:709 or .A:725 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:759 or .A:760 or .A:761 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.420
GLY687
3.760
LYS688
3.631
GLY689
3.682
VAL694
3.739
ALA707
3.469
LYS709
2.930
GLU725
4.837
VAL738
4.020
MET754
3.750
GLU755
3.182
Residue
Distance (Å)
GLN756
3.467
VAL757
3.037
GLY759
4.620
GLY760
3.891
SER761
4.829
ASP807
3.436
ASN808
4.423
LEU810
3.347
SER821
3.529
ASP822
3.511
Ligand Name: 2-{6-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]pyridin-2-Yl}-2,3-Dihydro-1h-Isoindol-1-One Ligand Info
Structure Description Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure PDB:5UP3
Method X-ray diffraction Resolution 2.95 Å Mutation No [8]
PDB Sequence
LLEYDYEYDE
679
NGDRVVLGKG
689
TYGIVYAGRD
699
LSNQVRIAIK
709
EIPERQPLHE
724

EIALHKHLKH
734
KNIVQYLGSF
744
SENGFIKIFM
754
EQVPGGSLSA
764
LLRSKWGPLK
774

DNEQTIGFYT
784
KQILEGLKYL
794
HDNQIVHRDI
804
KGDNVLINTY
814
SGVLKISDFG
824

TSKRLTFTGT
842
LQYMAPEIID
852
KGPRGYGKAA
862
DIWSLGCTII
872
EMATGKPPFY
882

ELGEPQAAMF
892
KVGMFKVHPE
902
IPESMSAEAK
912
AFILKCFEPD
922
PDKRACANDL
932

LVDEFLKV
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8GS or .8GS2 or .8GS3 or :38GS;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:689 or .A:694 or .A:707 or .A:709 or .A:725 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:759 or .A:760 or .A:761 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.276
GLY687
3.676
LYS688
3.804
GLY689
3.484
VAL694
3.689
ALA707
3.701
LYS709
3.510
GLU725
4.789
VAL738
3.661
MET754
3.525
GLU755
3.509
Residue
Distance (Å)
GLN756
3.465
VAL757
2.729
GLY759
4.563
GLY760
3.524
SER761
4.726
ASP807
3.244
ASN808
3.902
LEU810
3.364
SER821
3.407
ASP822
3.565
Ligand Name: N-(1-Ethyl-1h-Pyrazol-4-Yl)furan-3-Carboxamide Ligand Info
Structure Description Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization strategy PDB:5V19
Method X-ray diffraction Resolution 3.10 Å Mutation No [9]
PDB Sequence
LEYDYEYDEN
680
GDRVVLGKGT
690
YGIVYAGRDL
700
SNQVRIAIKE
710
IPERPLHEEI
726

ALHKHLKHKN
736
IVQYLGSFSE
746
NGFIKIFMEQ
756
VPGGSLSALL
766
RSKWGPLKDN
776

EQTIGFYTKQ
786
ILEGLKYLHD
796
NQIVHRDIKG
806
DNVLINTYSG
816
VLKISDFGTS
826

KRLTFTGTLQ
844
YMAPEIIDKG
854
PRGYGKAADI
864
WSLGCTIIEM
874
ATGKPPFYEA
889

AMFKVGMFKV
899
HPEIPESMSA
909
EAKAFILKCF
919
EPDPDKRACA
929
NDLLVDEFLK
939
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8V4 or .8V42 or .8V43 or :38V4;style chemicals stick;color identity;select .A:686 or .A:694 or .A:707 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:758 or .A:759 or .A:760 or .A:761 or .A:810 or .A:821; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.711
VAL694
3.982
ALA707
3.791
VAL738
3.866
MET754
3.713
GLU755
3.114
GLN756
3.576
Residue
Distance (Å)
VAL757
2.818
PRO758
4.911
GLY759
4.468
GLY760
3.636
SER761
4.980
LEU810
3.509
SER821
3.904
Ligand Name: 6-{[(2s)-4-Methylmorpholin-2-Yl]methoxy}-2-{6-[4-(Propan-2-Yl)-4h-1,2,4-Triazol-3-Yl]pyridin-2-Yl}-2,3-Dihydro-1h-Isoindol-1-One Ligand Info
Structure Description Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure PDB:5UOR
Method X-ray diffraction Resolution 2.75 Å Mutation No [8]
PDB Sequence
LEYDYEYDEN
680
GDRVVLGKGT
690
YGIVYAGRDL
700
SNQVRIAIKE
710
IPERDSRYSQ
720

PLHEEIALHK
730
HLKHKNIVQY
740
LGSFSENGFI
750
KIFMEQVPGG
760
SLSALLRSKW
770

GPLKDNEQTI
780
GFYTKQILEG
790
LKYLHDNQIV
800
HRDIKGDNVL
810
INTYSGVLKI
820

SDFGTSKRLF
839
TGTLQYMAPE
849
IIDYGKAADI
864
WSLGCTIIEM
874
ATGKPPFYEA
890

MFKVGMFKVH
900
PEIPESMSAE
910
AKAFILKCFE
920
PDPDKRACAN
930
DLLVDEFLK
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8GV or .8GV2 or .8GV3 or :38GV;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:689 or .A:694 or .A:705 or .A:707 or .A:709 or .A:725 or .A:738 or .A:754 or .A:755 or .A:756 or .A:757 or .A:758 or .A:759 or .A:760 or .A:761 or .A:807 or .A:808 or .A:810 or .A:821 or .A:822; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU686
3.198
GLY687
4.018
LYS688
3.512
GLY689
3.734
VAL694
3.800
ARG705
4.480
ALA707
3.598
LYS709
2.611
GLU725
4.811
VAL738
3.691
MET754
3.358
GLU755
3.555
Residue
Distance (Å)
GLN756
3.306
VAL757
2.757
PRO758
3.940
GLY759
3.202
GLY760
3.528
SER761
4.588
ASP807
3.283
ASN808
4.189
LEU810
3.404
SER821
3.317
ASP822
3.558
References  Top
REF 1 Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors. J Med Chem. 2019 Dec 12;62(23):10740-10756.
REF 2 Crystal structures of ASK1-inhibtor complexes provide a platform for structure-based drug design. Protein Sci. 2013 Aug;22(8):1071-7.
REF 3 ASK1 contributes to fibrosis and dysfunction in models of kidney disease. J Clin Invest. 2018 Oct 1;128(10):4485-4500.
REF 4 Design and biological evaluation of imidazo[1,2-a]pyridines as novel and potent ASK1 inhibitors. Bioorg Med Chem Lett. 2012 Dec 15;22(24):7326-9.
REF 5 Structure-guided optimization of a novel class of ASK1 inhibitors with increased sp(3) character and an exquisite selectivity profile. Bioorg Med Chem Lett. 2020 Sep 1;30(17):127405.
REF 6 Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors. Eur J Med Chem. 2018 Feb 10;145:606-621.
REF 7 Discovery of CNS-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors. ACS Med Chem Lett. 2020 Feb 12;11(4):485-490.
REF 8 Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure. ACS Med Chem Lett. 2017 Feb 8;8(3):316-320.
REF 9 Structure-based drug design of novel ASK1 inhibitors using an integrated lead optimization strategy. Bioorg Med Chem Lett. 2017 Apr 15;27(8):1709-1713.

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