Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
STU | | STAUROSPORINE | 1nxk | A | E190 | STU | | STAUROSPORINE | 1nxk | B | E190 | STU | | STAUROSPORINE | 1nxk | C | E190 | STU | | STAUROSPORINE | 2pzy | C | E190 | PDY | | {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE | 3a2c | A | E190 | PDY | | {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE | 3a2c | B | E190 | PDY | | {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE | 3a2c | C | E190 | PDY | | {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE | 3a2c | D | E190 | PDY | | {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE | 3a2c | E | E190 | PDY | | {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE | 3a2c | F | E190 | PDY | | {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE | 3a2c | G | E190 | PDY | | {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE | 3a2c | H | E190 | PDY | | {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE | 3a2c | I | E190 | PDY | | {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE | 3a2c | J | E190 | PDY | | {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE | 3a2c | K | E190 | PDY | | {5-[((3S)(3-PIPERIDYL))AMINO]-6-METHYL(PYRAZOLO[1,5-A]PYRIMIDIN-7-YL)}(4-ETHOXYPHENYL)AMINE | 3a2c | L | E190 | YRZ | | N-[(3S)-PIPERIDIN-3-YL]-7,8-DIHYDRO-6H-PYRAZOLO[1,5- A]PYRROLO[3,2-E]PYRIMIDIN-5-AMINE | 3wi6 | A | E190 | YRZ | | N-[(3S)-PIPERIDIN-3-YL]-7,8-DIHYDRO-6H-PYRAZOLO[1,5- A]PYRROLO[3,2-E]PYRIMIDIN-5-AMINE | 3wi6 | B | E190 | YRZ | | N-[(3S)-PIPERIDIN-3-YL]-7,8-DIHYDRO-6H-PYRAZOLO[1,5- A]PYRROLO[3,2-E]PYRIMIDIN-5-AMINE | 3wi6 | C | E190 | YRZ | | N-[(3S)-PIPERIDIN-3-YL]-7,8-DIHYDRO-6H-PYRAZOLO[1,5- A]PYRROLO[3,2-E]PYRIMIDIN-5-AMINE | 3wi6 | D | E190 | YRZ | | N-[(3S)-PIPERIDIN-3-YL]-7,8-DIHYDRO-6H-PYRAZOLO[1,5- A]PYRROLO[3,2-E]PYRIMIDIN-5-AMINE | 3wi6 | E | E190 | YRZ | | N-[(3S)-PIPERIDIN-3-YL]-7,8-DIHYDRO-6H-PYRAZOLO[1,5- A]PYRROLO[3,2-E]PYRIMIDIN-5-AMINE | 3wi6 | F | E190 | ADP | | ADP | 1ny3 | A | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 2jbo | A | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 2jbp | A | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 2jbp | B | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 2jbp | C | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 2jbp | D | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 2jbp | F | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 2jbp | G | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 2jbp | H | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 2jbp | I | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 2jbp | K | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 2jbp | L | K93 | F10 | | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 2p3g | X | K93 | B18 | | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE | 2pzy | A | K93 | B18 | | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE | 2pzy | B | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 3gok | A | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 3gok | B | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 3gok | C | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 3gok | D | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 3gok | E | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 3gok | F | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 3gok | G | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 3gok | H | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 3gok | I | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 3gok | J | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 3gok | K | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 3gok | L | K93 | MK3 | | 6-(5-(2-AMINOPYRIMIDIN-4-YLAMINO)-2-HYDROXYPHENYL)-N-METHYLBENZO[B]THIOPHENE-2-CARBOXAMIDE | 3ka0 | A | K93 | MK2 | | N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE | 3kc3 | A | K93 | MK2 | | N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE | 3kc3 | B | K93 | MK2 | | N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE | 3kc3 | C | K93 | MK2 | | N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE | 3kc3 | D | K93 | MK2 | | N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE | 3kc3 | E | K93 | MK2 | | N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE | 3kc3 | F | K93 | MK2 | | N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE | 3kc3 | H | K93 | MK2 | | N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE | 3kc3 | I | K93 | MK2 | | N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE | 3kc3 | J | K93 | MK2 | | N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE | 3kc3 | K | K93 | MK2 | | N4-[7-(1-BENZOFURAN-2-YL)-1H-INDAZOL-5-YL]PYRIMIDINE-2,4-DIAMINE | 3kc3 | L | K93 | LX9 | | 6-{3-AMINO-1-[3-(1H-INDOL-6-YL)PHENYL]-1H-PYRAZOL-4-YL}-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE | 3kga | A | K93 | HGF | | 2-[5-(2-METHOXYETHOXY)PYRIDIN-3-YL]-8,9,10,11-TETRAHYDRO-7H-PYRIDO[3',4':4,5]PYRROLO[2,3-F]ISOQUINOLIN-7-ONE | 3m42 | A | K93 | 05B | | 2'-[2-(1,3-BENZODIOXOL-5-YL)PYRIMIDIN-4-YL]-5',6'-DIHYDROSPIRO[PIPERIDINE-4,7'-PYRROLO[3,2-C]PYRIDIN]-4'(1'H)-ONE | 3r2b | B | K93 | P4O | | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 3r2y | A | K93 | 793 | | 3-{[(1R)-1-PHENYLETHYL]AMINO}-4-(PYRIDIN-4-YLAMINO)CYCLOBUT-3-ENE-1,2-DIONE | 3fpm | A | K93 E190 | B98 | | (3R)-3-(AMINOMETHYL)-9-METHOXY-1,2,3,4-TETRAHYDRO-5H-[1]BENZOTHIENO[3,2-E][1,4]DIAZEPIN-5-ONE | 3fyk | X | K93 E190 | L8I | | 2'-(2-FLUOROPHENYL)-1-METHYL-6',8',9',11'-TETRAHYDROSPIRO[AZETIDINE-3,10'-PYRIDO[3',4':4,5]PYRROLO[2,3-F]ISOQUINOLIN]-7'(5'H)-ONE | 3m2w | A | K93 E190 | 05B | | 2'-[2-(1,3-BENZODIOXOL-5-YL)PYRIMIDIN-4-YL]-5',6'-DIHYDROSPIRO[PIPERIDINE-4,7'-PYRROLO[3,2-C]PYRIDIN]-4'(1'H)-ONE | 3r2b | A | K93 E190 | CD2 | | 1-(2-AMINOETHYL)-3-[2-(QUINOLIN-3-YL)PYRIDIN-4-YL]-1H-PYRAZOLE-5-CARBOXYLIC ACID | 3r30 | A | K93 E190 |