Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
PWU | | ISOPROPYL 6-((4-(1,2-DIMETHYL-1H-IMIDAZOL-5- YL)PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)- 1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE | 5ap2 | A | E571 I586 M602 C604 L654 P673 | 2QK | | N-[(1R)-1-(2-CHLOROPHENYL)PROPYL]-3-{4-[(1- METHYLPIPERIDIN-4-YL)OXY]PHENYL}-1H-INDAZOLE-5- CARBOXAMIDE | 4o6l | B | G534 V539 I586 M602 C604 L654 D664 | ATP | | ATP | 3hmn | A | G534 V539 M602 L654 | SVE | | N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLH]QUINAZOLINE-3-CARBOXAMIDE | 2x9e | A | G534 V539 Q541 I586 C604 L654 D664 | 1PH | | 2-PHENYL-N-[3-(3-SULFAMOYLPHENYL)-2H-INDAZOL-5- YL]ACETAMIDE | 4jt3 | A | G534 V539 Q541 M602 C604 L654 | ZO6 | | THIENO[3,2-C][2,6]NAPHTHYRIDINE | 4bi1 | A | I586 C604 L654 | Z0B | | THIENO[2,3-C][2,6]NAPHTHYRIDINE | 4bhz | A | I586 L654 | Z0W | | 5H-PYRIMIDO[5,4-B]INDOLE | 4bi0 | A | I586 L654 | 537 | | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE | 2zmd | A | I586 M602 C604 L654 | ZO8 | | THIENO[2,3-C][2,7]NAPHTHYRIDINE | 4bi2 | A | I586 M602 L654 | 4T9 | N-(3,4-DIMETHOXYPHENYL)-2-(1H-PYRAZOL-4-YL)- 1H-PYRROLO[3,2-C]PYRIDIN-6-AMINE | ETHYL METHYL (4R)-4-(2,3-DICHLOROPHENYL)-2,6- DIMETHYL-1,4-DIHYDROPYRIDINE-3,5- DICARBOXYLATE | 4c4e | A | I586 M602 L654 | 7RO | | TERT-BUTYL 6-((2-CHLORO-4-(DIMETHYLCARBAMOYL) PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)- 1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE | 4c4g | A | L575 I586 M602 C604 L654 | 3D7 | | 3-AMINO-5-(1-METHYL-1H-PYRAZOL-4-YL)PYRIDIN- 2(1H)-ONE | 4cv8 | A | M602 C604 L654 | WBI | | N-(6-OXO-1,6-DIHYDRO-3,4'-BIPYRIDIN-5-YL)-4- (PIPERIDIN-1-YL)BENZAMIDE | 4cva | A | M602 C604 L654 | CX4 | | 7-CHLORO-N-(CYCLOPROPYLMETHYL)QUINAZOLIN-4-AMINE | 3hmp | A | Q541 I586 M602 C604 L654 | 7CE | | N-(2-METHOXYPHENYL)-2-(1,3-OXAZOL-5-YL)-1H- PYRROLO[3,2-C]PYRIDIN-6-AMINE | 4c4f | A | Q541 I586 M602 C604 L654 | 92M | | 9-CYCLOPENTYL-2-{[4-(4-HYDROXYPIPERIDIN-1-YL)-2-METHOXYPHENYL]AMINO}-5-METHYL-5,7,8,9-TETRAHYDRO-6H-PYRIMIDO[4,5-B][1,4]DIAZEPIN-6-ONE | 3h9f | A | Q541 I586 M602 C604 L654 D664 | S22 | | 1-(4-(4-(2-(ISOPROPYLSULFONYL)PHENYLAMINO)-1H-PYRROLO[2,3-B]PYRIDIN-6-YLAMINO)-3-METHOXYPHENYL)PIPERIDIN-4-OL | 3gfw | A | Q541 M602 C604 L654 | STU | | STAUROSPORINE | 3hmo | A | V539 C604 L654 | DYK | | N-{2-METHOXY-4-[(1-METHYLPIPERIDIN-4-YL)OXY] PHENYL}-4-(1H-PYRROLO[2,3-C]PYRIDIN-3-YL) PYRIMIDIN-2-AMINE | 4d2s | A | V539 C604 L654 | AU5 | | 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1- METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9- DIHYDRO-8H-PURIN-8-ONE | 5ap0 | A | V539 I586 M602 C604 L654 | 7RO | | TERT-BUTYL 6-((2-CHLORO-4-(DIMETHYLCARBAMOYL) PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)- 1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE | 5ap5 | A | V539 I586 M602 C604 L654 | 2QK | | N-[(1R)-1-(2-CHLOROPHENYL)PROPYL]-3-{4-[(1- METHYLPIPERIDIN-4-YL)OXY]PHENYL}-1H-INDAZOLE-5- CARBOXAMIDE | 4o6l | A | V539 I586 M602 C604 L654 D664 P673 | 1PF | | 4-(CYCLOHEXYLMETHOXY)-3-{4-[(1-METHYLPIPERIDIN-4-YL) OXY]PHENYL}-2H-INDAZOLE | 4js8 | A | V539 I586 M602 C604 L654 P673 | PWU | | ISOPROPYL 6-((4-(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)PHENYL) AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2- C]PYRIDINE-1-CARBOXYLATE | 5ap6 | A | V539 I586 M602 L654 P673 | O22 | | 4-[(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2-YL) AMINO]BENZAMIDE | 3vqu | A | V539 M602 C604 L654 P673 | O43 | | 4-{6-(CYCLOHEXYLAMINO)-8-[(TETRAHYDRO-2H-PYRAN-4- YLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}-N- CYCLOPROPYLBENZAMIDE | 3wzj | A | V539 Q541 E571 L575 M600 M602 C604 L654 D664 P673 | 1O5 | | 5-[5-ETHOXY-6-(1-METHYL-1H-PYRAZOL-4-YL)-1H-INDAZOL-3- YL]-2-METHYLBENZENESULFONAMIDE | 3w1f | A | V539 Q541 E571 L575 M602 C604 L654 | O23 | | N-CYCLOPROPYL-4-{8-[(THIOPHEN-2-YLMETHYL) AMINO]IMIDAZO[1,2-A]PYRAZIN-3-YL}BENZAMIDE | 3wzk | A | V539 Q541 E571 M602 C604 L654 D664 | X21 | | TERT-BUTYL 6-{[2-CHLORO-4-(1-METHYL-1H- IMIDAZOL-5-YL)PHENYL]AMINO}-2-(1-METHYL-1H-PYRAZOL- 4-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1- CARBOXYLATE | 4c4j | A | V539 Q541 E571 M602 C604 L654 P673 | X20 | | TERT-BUTYL 6-{[2-CHLORO-4-(DIMETHYLCARBAMOYL) PHENYL]AMINO}-2-(1,3-OXAZOL-5-YL)-1H- PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE | 4c4i | A | V539 Q541 I586 M602 C604 L654 | O38 | | 6-{[3-(CYANOMETHOXY)-4-(1-METHYL-1H-PYRAZOL-4-YL) PHENYL]AMINO}-2-(CYCLOHEXYLAMINO)PYRIDINE-3- CARBONITRILE | 3wyx | A | V539 Q541 I586 M602 C604 L654 | AU5 | | 9-CYCLOPENTYL-2-[[2-METHOXY-4-[(1- METHYLPIPERIDIN-4-YL)OXY]-PHENYL]AMINO]-7-METHYL-7,9- DIHYDRO-8H-PURIN-8-ONE | 5ap3 | A | V539 Q541 I586 M602 C604 L654 | O38 | | 6-{[3-(CYANOMETHOXY)-4-(1-METHYL-1H-PYRAZOL- 4-YL)PHENYL]AMINO}-2-(CYCLOHEXYLAMINO) PYRIDINE-3-CARBONITRILE | 5ap1 | A | V539 Q541 I586 M602 C604 L654 P673 | O38 | | 6-{[3-(CYANOMETHOXY)-4-(1-METHYL-1H-PYRAZOL- 4-YL)PHENYL]AMINO}-2-(CYCLOHEXYLAMINO) PYRIDINE-3-CARBONITRILE | 5ap4 | A | V539 Q541 I586 M602 C604 L654 P673 | SVE | | N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLH]QUINAZOLINE-3-CARBOXAMIDE | 5ap7 | A | V539 Q541 I586 M602 L654 D664 | 7RO | | TERT-BUTYL 6-((2-CHLORO-4-(DIMETHYLCARBAMOYL) PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)- 1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE | 4c4h | A | V539 Q541 M602 C604 L654 | O17 | | (2E)-3-[4-({4-AMINO-5-CYANO-6-[(3S,5S,7S)- TRICYCLO[3.3.1.1~3,7~]DEC-1-YLAMINO]PYRIDIN-2- YL}AMINO)-2-(CYANOMETHOXY)PHENYL]-N-(2-METHOXYETHYL) PROP-2-ENAMIDE | 3wyy | A | V539 Q541 M602 C604 L654 P673 | 1KA | POLYETHYLENE GLYCOL FRAGMENT | (2-HYDROXYETHOXY)ACETALDEHYDE | 5ap5 | A | Y568 E571 |