Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
CBO | | CARBENOXOLONE | 2bel | B | A226 | CBO | | CARBENOXOLONE | 2bel | C | A226 | CBO | | CARBENOXOLONE | 2bel | D | A226 | NN4 | | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE | 2irw | C | A226 | ZMG | | (R)-2-(2-FLUOROPHENYLAMINO)-5-ISOPROPYLTHIAZOL-4(5H)-ONE | 2rbe | B | A226 | H11 | | (5S)-2-(CYCLOOCTYLAMINO)-5-METHYL-5-PROPYL-1,3-THIAZOL-4(5H)-ONE | 3byz | A | A226 | H11 | | (5S)-2-(CYCLOOCTYLAMINO)-5-METHYL-5-PROPYL-1,3-THIAZOL-4(5H)-ONE | 3byz | B | A226 | H11 | | (5S)-2-(CYCLOOCTYLAMINO)-5-METHYL-5-PROPYL-1,3-THIAZOL-4(5H)-ONE | 3byz | C | A226 | A21 | | (5S)-2-{[(1S)-1-(2-FLUOROPHENYL)ETHYL]AMINO}-5-METHYL-5-(TRIFLUOROMETHYL)-1,3-THIAZOL-4(5H)-ONE | 3bzu | A | A226 | A21 | | (5S)-2-{[(1S)-1-(2-FLUOROPHENYL)ETHYL]AMINO}-5-METHYL-5-(TRIFLUOROMETHYL)-1,3-THIAZOL-4(5H)-ONE | 3bzu | C | A226 | 3CZ | | (2R)-1-[(4-TERT-BUTYLPHENYL)SULFONYL]-2-METHYL-4-(4-NITROPHENYL)PIPERAZINE | 3czr | A | A226 | D4N | | 1-{[(3R)-3-METHYL-4-({4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)PIPERAZIN-1-YL]METHYL}CYCLOPROPANECARBOXAMIDE | 3d4n | A | A226 | 33T | | 3-CHLORO-4-({(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYLPIPERAZIN-1-YL}SULFONYL)BENZAMIDE | 3h6k | C | A226 | 21T | | 4-[4-(2-ADAMANTYLCARBAMOYL)-5-TERT-BUTYL-PYRAZOL-1- YL]BENZOIC ACID | 4p38 | B | A226 | 1EN | | 3-[1-(4-CHLOROPHENYL)CYCLOPROPYL]-8-(2-FLUOROPHENOXY) [1,2,4]TRIAZOLO[4,3-A]PYRIDINE | 4ijv | B | A226 | 4YQ | | 4-CYCLOPROPYL-2-(2-HYDROXYETHYLOXY)-N-[(1S, 3R)-5-OXIDANYL-2-ADAMANTYL]-1,3-THIAZOLE-5- CARBOXAMIDE | 4c7j | A | A226 | NAP | | NADP ZWITTERION | 3d5q | D | G45 S67 | NDP | | NADPH | 1xu7 | A | G45 S67 T92 | NDP | | NADPH | 1xu7 | B | G45 S67 T92 | NDP | | NADPH | 1xu7 | C | G45 S67 T92 | NDP | | NADPH | 1xu7 | D | G45 S67 T92 | NDP | | NADPH | 1xu9 | A | G45 S67 T92 | NDP | | NADPH | 1xu9 | B | G45 S67 T92 | NDP | | NADPH | 1xu9 | C | G45 S67 T92 | NDP | | NADPH | 1xu9 | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 2bel | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 2bel | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 2bel | C | G45 S67 T92 | NAP | | NADP ZWITTERION | 2bel | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 2ilt | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 2irw | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 2irw | C | G45 S67 T92 | NAP | | NADP ZWITTERION | 2irw | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 2irw | E | G45 S67 T92 | NAP | | NADP ZWITTERION | 2irw | F | G45 S67 T92 | NAP | | NADP ZWITTERION | 2irw | G | G45 S67 T92 | NAP | | NADP ZWITTERION | 2irw | H | G45 S67 T92 | NDP | | NADPH | 2rbe | A | G45 S67 T92 | NDP | | NADPH | 2rbe | B | G45 S67 T92 | NDP | | NADPH | 2rbe | C | G45 S67 T92 | NDP | | NADPH | 2rbe | D | G45 S67 T92 | NDP | | NADPH | 3byz | A | G45 S67 T92 | NDP | | NADPH | 3byz | B | G45 S67 T92 | NDP | | NADPH | 3byz | C | G45 S67 T92 | NDP | | NADPH | 3byz | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 3bzu | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 3bzu | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 3bzu | C | G45 S67 T92 | NAP | | NADP ZWITTERION | 3ch6 | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 3ch6 | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 3ch6 | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 3ch6 | E | G45 S67 T92 | NAP | | NADP ZWITTERION | 3czr | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 3czr | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 3d3e | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 3d3e | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 3d3e | C | G45 S67 T92 | NAP | | NADP ZWITTERION | 3d3e | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 3d4n | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 3d4n | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 3d4n | C | G45 S67 T92 | NAP | | NADP ZWITTERION | 3d4n | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 3d5q | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 3d5q | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 3d5q | C | G45 S67 T92 | NDP | | NADPH | 3ey4 | A | G45 S67 T92 | NDP | | NADPH | 3ey4 | B | G45 S67 T92 | NDP | | NADPH | 3ey4 | C | G45 S67 T92 | NDP | | NADPH | 3ey4 | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 3fco | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 3fco | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 3frj | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 3frj | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 3h6k | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 3h6k | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 3h6k | C | G45 S67 T92 | NAP | | NADP ZWITTERION | 3h6k | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 3hfg | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 3hfg | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 3hfg | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 3oq1 | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 3oq1 | C | G45 S67 T92 | NAP | | NADP ZWITTERION | 3oq1 | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 3pdj | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 3pdj | B | G45 S67 T92 | NDP | | NADPH | 3qqp | A | G45 S67 T92 | NDP | | NADPH | 3qqp | B | G45 S67 T92 | NDP | | NADPH | 3qqp | C | G45 S67 T92 | NDP | | NADPH | 3qqp | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 3tfq | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 3tfq | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 3tfq | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 3tfq | E | G45 S67 T92 | NAP | | NADP ZWITTERION | 4bb5 | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 4bb5 | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 4bb5 | C | G45 S67 T92 | NAP | | NADP ZWITTERION | 4bb5 | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 4bb6 | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 4bb6 | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 4hfr | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 4hfr | B | G45 S67 T92 | NDP | | NADPH | 4hx5 | A | G45 S67 T92 | NDP | | NADPH | 4hx5 | B | G45 S67 T92 | NDP | | NADPH | 4hx5 | C | G45 S67 T92 | NDP | | NADPH | 4hx5 | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 4c7k | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 4c7k | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 4c7k | C | G45 S67 T92 | NAP | | NADP ZWITTERION | 4c7k | D | G45 S67 T92 | NDP | | NADPH | 4k1l | A | G45 S67 T92 | NDP | | NADPH | 4k1l | B | G45 S67 T92 | NDP | | NADPH | 4k1l | C | G45 S67 T92 | NDP | | NADPH | 4k1l | D | G45 S67 T92 | NDP | | NADPH | 4p38 | A | G45 S67 T92 | NDP | | NADPH | 4p38 | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 4iju | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 4iju | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 4iju | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 4iju | E | G45 S67 T92 | NAP | | NADP ZWITTERION | 4ijv | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 4ijv | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 4ijv | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 4ijv | E | G45 S67 T92 | NAP | | NADP ZWITTERION | 4ijw | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 4ijw | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 4ijw | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 4ijw | E | G45 S67 T92 | NAP | | NADP ZWITTERION | 4c7j | A | G45 S67 T92 | NAP | | NADP ZWITTERION | 4c7j | B | G45 S67 T92 | NAP | | NADP ZWITTERION | 4c7j | C | G45 S67 T92 | NAP | | NADP ZWITTERION | 4c7j | D | G45 S67 T92 | NAP | | NADP ZWITTERION | 3bzu | D | G45 T92 | 311 | | (3,3-DIMETHYLPIPERIDIN-1-YL)(6-(3-FLUORO-4-METHYLPHENYL)PYRIDIN-2-YL)METHANONE | 3ch6 | D | L126 | S05 | | 3,4-DIHYDROQUINOLIN-1(2H)-YL[4-(1H-IMIDAZOL-5-YL)PIPERIDIN-1-YL]METHANONE | 3qqp | B | L126 | 14M | | {(3S)-1-[5-(CYCLOHEXYLCARBAMOYL)-6-(PROPYLSULFANYL) PYRIDIN-2-YL]PIPERIDIN-3-YL}ACETIC ACID | 4hfr | A | L126 | 14M | | {(3S)-1-[5-(CYCLOHEXYLCARBAMOYL)-6-(PROPYLSULFANYL) PYRIDIN-2-YL]PIPERIDIN-3-YL}ACETIC ACID | 4hfr | B | L126 | SFF | | (4AS,8AR)-N-CYCLOHEXYL-4A,5,6,7,8,8A-HEXAHYDRO-4,1,2- BENZOXATHIAZIN-3-AMINE 1,1-DIOXIDE | 4k1l | A | L126 | SFF | | (4AS,8AR)-N-CYCLOHEXYL-4A,5,6,7,8,8A-HEXAHYDRO-4,1,2- BENZOXATHIAZIN-3-AMINE 1,1-DIOXIDE | 4k1l | B | L126 | SFF | | (4AS,8AR)-N-CYCLOHEXYL-4A,5,6,7,8,8A-HEXAHYDRO-4,1,2- BENZOXATHIAZIN-3-AMINE 1,1-DIOXIDE | 4k1l | C | L126 | 1EO | | (1S,4S)-4-[8-(2-FLUOROPHENOXY)[1,2,4]TRIAZOLO[4,3- A]PYRIDIN-3-YL]BICYCLO[2.2.1]HEPTAN-1-OL | 4iju | E | L126 | 1EN | | 3-[1-(4-CHLOROPHENYL)CYCLOPROPYL]-8-(2-FLUOROPHENOXY) [1,2,4]TRIAZOLO[4,3-A]PYRIDINE | 4ijv | D | L126 | 1EN | | 3-[1-(4-CHLOROPHENYL)CYCLOPROPYL]-8-(2-FLUOROPHENOXY) [1,2,4]TRIAZOLO[4,3-A]PYRIDINE | 4ijv | E | L126 | 1EQ | | 3-[1-(4-CHLOROPHENYL)CYCLOPROPYL]-8-CYCLOPROPYL[1,2, 4]TRIAZOLO[4,3-A]PYRIDINE | 4ijw | D | L126 | CBO | | CARBENOXOLONE | 2bel | A | L126 A226 | NN1 | | 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE | 2ilt | A | L126 A226 | NN4 | | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE | 2irw | A | L126 A226 | NN4 | | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE | 2irw | B | L126 A226 | NN4 | | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE | 2irw | D | L126 A226 | NN4 | | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE | 2irw | E | L126 A226 | NN4 | | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE | 2irw | F | L126 A226 | NN4 | | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE | 2irw | G | L126 A226 | NN4 | | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE | 2irw | H | L126 A226 | ZMG | | (R)-2-(2-FLUOROPHENYLAMINO)-5-ISOPROPYLTHIAZOL-4(5H)-ONE | 2rbe | D | L126 A226 | H11 | | (5S)-2-(CYCLOOCTYLAMINO)-5-METHYL-5-PROPYL-1,3-THIAZOL-4(5H)-ONE | 3byz | D | L126 A226 | A21 | | (5S)-2-{[(1S)-1-(2-FLUOROPHENYL)ETHYL]AMINO}-5-METHYL-5-(TRIFLUOROMETHYL)-1,3-THIAZOL-4(5H)-ONE | 3bzu | B | L126 A226 | A21 | | (5S)-2-{[(1S)-1-(2-FLUOROPHENYL)ETHYL]AMINO}-5-METHYL-5-(TRIFLUOROMETHYL)-1,3-THIAZOL-4(5H)-ONE | 3bzu | D | L126 A226 | D3E | | N-CYCLOPROPYL-N-(TRANS-4-PYRIDIN-3-YLCYCLOHEXYL)-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE | 3d3e | A | L126 A226 | D3E | | N-CYCLOPROPYL-N-(TRANS-4-PYRIDIN-3-YLCYCLOHEXYL)-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE | 3d3e | B | L126 A226 | D3E | | N-CYCLOPROPYL-N-(TRANS-4-PYRIDIN-3-YLCYCLOHEXYL)-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE | 3d3e | C | L126 A226 | D3E | | N-CYCLOPROPYL-N-(TRANS-4-PYRIDIN-3-YLCYCLOHEXYL)-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE | 3d3e | D | L126 A226 | D4N | | 1-{[(3R)-3-METHYL-4-({4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)PIPERAZIN-1-YL]METHYL}CYCLOPROPANECARBOXAMIDE | 3d4n | B | L126 A226 | IIG | | N-CYCLOPROPYL-N-(CIS-4-CYCLOPROPYL-4-HYDROXYCYCLOHEXYL)-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE | 3fco | A | L126 A226 | IIG | | N-CYCLOPROPYL-N-(CIS-4-CYCLOPROPYL-4-HYDROXYCYCLOHEXYL)-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE | 3fco | B | L126 A226 | A49 | | N-{1-[(1-CARBAMOYLCYCLOPROPYL)METHYL]PIPERIDIN-4-YL}-N-CYCLOPROPYL-4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]BENZAMIDE | 3frj | B | L126 A226 | 17R | | (R)-1-(3-(1H-1,2,4-TRIAZOL-1-YL)PHENYLSULFONYL)-4-(4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL)-2-METHYLPIPERAZINE | 3hfg | D | L126 A226 | 3OQ | | 3-(2-FLUOROETHYL)-4-({4-[(1R)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)BENZONITRILE | 3oq1 | A | L126 A226 | 3OQ | | 3-(2-FLUOROETHYL)-4-({4-[(1R)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)BENZONITRILE | 3oq1 | B | L126 A226 | 3OQ | | 3-(2-FLUOROETHYL)-4-({4-[(1R)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)BENZONITRILE | 3oq1 | C | L126 A226 | 3OQ | | 3-(2-FLUOROETHYL)-4-({4-[(1R)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)BENZONITRILE | 3oq1 | D | L126 A226 | 3PJ | | N-((1R,4S)-4-(3-AMINO-3-OXOPROPYL)-4-PHENYLCYCLOHEXYL)-N-CYCLOPROPYL-4-((S)-1,1,1-TRIFLUORO-2-HYDROXYPROPAN-2-YL)BENZAMIDE | 3pdj | A | L126 A226 | S05 | | 3,4-DIHYDROQUINOLIN-1(2H)-YL[4-(1H-IMIDAZOL-5-YL)PIPERIDIN-1-YL]METHANONE | 3qqp | C | L126 A226 | HD2 | | 4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2- ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5- CARBOXAMIDE | 4bb5 | A | L126 A226 | HD2 | | 4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2- ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5- CARBOXAMIDE | 4bb5 | B | L126 A226 | HD2 | | 4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2- ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5- CARBOXAMIDE | 4bb5 | C | L126 A226 | HD2 | | 4-CYCLOPENTYL-N-[(1S,3R)-5-OXIDANYL-2- ADAMANTYL]-2-[[(3S)-OXOLAN-3-YL]AMINO]PYRIMIDINE-5- CARBOXAMIDE | 4bb5 | D | L126 A226 | HD1 | | 6-(4-METHYLPIPERAZIN-1-YL)-N-[(1R,3S)-5- OXIDANYL-2-ADAMANTYL]-2-PROPYLSULFANYL-PYRIDINE-3- CARBOXAMIDE | 4bb6 | A | L126 A226 | HD1 | | 6-(4-METHYLPIPERAZIN-1-YL)-N-[(1R,3S)-5- OXIDANYL-2-ADAMANTYL]-2-PROPYLSULFANYL-PYRIDINE-3- CARBOXAMIDE | 4bb6 | B | L126 A226 | 19V | | 4-[5-(4-TERT-BUTYLPIPERAZIN-1-YL)PYRIDIN-2-YL]-N-[(1R, 2S,3S,5S,7S)-5-CARBAMOYLTRICYCLO[3.3.1.1~3,7~]DEC-2- YL]-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXAMIDE | 4hx5 | A | L126 A226 | 19V | | 4-[5-(4-TERT-BUTYLPIPERAZIN-1-YL)PYRIDIN-2-YL]-N-[(1R, 2S,3S,5S,7S)-5-CARBAMOYLTRICYCLO[3.3.1.1~3,7~]DEC-2- YL]-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXAMIDE | 4hx5 | B | L126 A226 | 19V | | 4-[5-(4-TERT-BUTYLPIPERAZIN-1-YL)PYRIDIN-2-YL]-N-[(1R, 2S,3S,5S,7S)-5-CARBAMOYLTRICYCLO[3.3.1.1~3,7~]DEC-2- YL]-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXAMIDE | 4hx5 | C | L126 A226 | 19V | | 4-[5-(4-TERT-BUTYLPIPERAZIN-1-YL)PYRIDIN-2-YL]-N-[(1R, 2S,3S,5S,7S)-5-CARBAMOYLTRICYCLO[3.3.1.1~3,7~]DEC-2- YL]-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXAMIDE | 4hx5 | D | L126 A226 | DZL | | 2-ETHYL-N-[(1S,3R)-5-OXIDANYL-2-ADAMANTYL]-4- [(2R)-OXOLAN-2-YL]-1,3-THIAZOLE-5- CARBOXAMIDE | 4c7k | A | L126 A226 | DZL | | 2-ETHYL-N-[(1S,3R)-5-OXIDANYL-2-ADAMANTYL]-4- [(2R)-OXOLAN-2-YL]-1,3-THIAZOLE-5- CARBOXAMIDE | 4c7k | B | L126 A226 | DZL | | 2-ETHYL-N-[(1S,3R)-5-OXIDANYL-2-ADAMANTYL]-4- [(2R)-OXOLAN-2-YL]-1,3-THIAZOLE-5- CARBOXAMIDE | 4c7k | C | L126 A226 | 21T | | 4-[4-(2-ADAMANTYLCARBAMOYL)-5-TERT-BUTYL-PYRAZOL-1- YL]BENZOIC ACID | 4p38 | A | L126 A226 | 4YQ | | 4-CYCLOPROPYL-2-(2-HYDROXYETHYLOXY)-N-[(1S, 3R)-5-OXIDANYL-2-ADAMANTYL]-1,3-THIAZOLE-5- CARBOXAMIDE | 4c7j | B | L126 A226 | 4YQ | | 4-CYCLOPROPYL-2-(2-HYDROXYETHYLOXY)-N-[(1S, 3R)-5-OXIDANYL-2-ADAMANTYL]-1,3-THIAZOLE-5- CARBOXAMIDE | 4c7j | C | L126 A226 | 4YQ | | 4-CYCLOPROPYL-2-(2-HYDROXYETHYLOXY)-N-[(1S, 3R)-5-OXIDANYL-2-ADAMANTYL]-1,3-THIAZOLE-5- CARBOXAMIDE | 4c7j | D | L126 A226 | 3PJ | | N-((1R,4S)-4-(3-AMINO-3-OXOPROPYL)-4-PHENYLCYCLOHEXYL)-N-CYCLOPROPYL-4-((S)-1,1,1-TRIFLUORO-2-HYDROXYPROPAN-2-YL)BENZAMIDE | 3pdj | B | L126 A226 H232 | T30 | | 3-[1-(4-FLUOROPHENYL)CYCLOPROPYL]-4-(1-METHYLETHYL)-5-[4-(TRIFLUOROMETHOXY)PHENYL]-4H-1,2,4-TRIAZOLE | 3d5q | B | S125 L126 | T30 | | 3-[1-(4-FLUOROPHENYL)CYCLOPROPYL]-4-(1-METHYLETHYL)-5-[4-(TRIFLUOROMETHOXY)PHENYL]-4H-1,2,4-TRIAZOLE | 3d5q | C | S125 L126 | T30 | | 3-[1-(4-FLUOROPHENYL)CYCLOPROPYL]-4-(1-METHYLETHYL)-5-[4-(TRIFLUOROMETHOXY)PHENYL]-4H-1,2,4-TRIAZOLE | 3d5q | D | S125 L126 | 352 | | (5S)-2-{[(1S)-1-(4-FLUOROPHENYL)ETHYL]AMINO}-5-(1-HYDROXY-1-METHYLETHYL)-5-METHYL-1,3-THIAZOL-4(5H)-ONE | 3ey4 | A | S125 L126 | 352 | | (5S)-2-{[(1S)-1-(4-FLUOROPHENYL)ETHYL]AMINO}-5-(1-HYDROXY-1-METHYLETHYL)-5-METHYL-1,3-THIAZOL-4(5H)-ONE | 3ey4 | B | S125 L126 | 352 | | (5S)-2-{[(1S)-1-(4-FLUOROPHENYL)ETHYL]AMINO}-5-(1-HYDROXY-1-METHYLETHYL)-5-METHYL-1,3-THIAZOL-4(5H)-ONE | 3ey4 | C | S125 L126 | D4N | | 1-{[(3R)-3-METHYL-4-({4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)PIPERAZIN-1-YL]METHYL}CYCLOPROPANECARBOXAMIDE | 3d4n | C | S125 L126 A226 | D4N | | 1-{[(3R)-3-METHYL-4-({4-[(1S)-2,2,2-TRIFLUORO-1-HYDROXY-1-METHYLETHYL]PHENYL}SULFONYL)PIPERAZIN-1-YL]METHYL}CYCLOPROPANECARBOXAMIDE | 3d4n | D | S125 L126 A226 | T30 | | 3-[1-(4-FLUOROPHENYL)CYCLOPROPYL]-4-(1-METHYLETHYL)-5-[4-(TRIFLUOROMETHOXY)PHENYL]-4H-1,2,4-TRIAZOLE | 3d5q | A | S125 L126 A226 | 352 | | (5S)-2-{[(1S)-1-(4-FLUOROPHENYL)ETHYL]AMINO}-5-(1-HYDROXY-1-METHYLETHYL)-5-METHYL-1,3-THIAZOL-4(5H)-ONE | 3ey4 | D | S125 L126 A226 | 33T | | 3-CHLORO-4-({(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYLPIPERAZIN-1-YL}SULFONYL)BENZAMIDE | 3h6k | A | S125 L126 A226 | 33T | | 3-CHLORO-4-({(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYLPIPERAZIN-1-YL}SULFONYL)BENZAMIDE | 3h6k | B | S125 L126 A226 | 33T | | 3-CHLORO-4-({(2R)-4-[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]-2-METHYLPIPERAZIN-1-YL}SULFONYL)BENZAMIDE | 3h6k | D | S125 L126 A226 | 17R | | (R)-1-(3-(1H-1,2,4-TRIAZOL-1-YL)PHENYLSULFONYL)-4-(4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL)-2-METHYLPIPERAZINE | 3hfg | A | S125 L126 A226 | 17R | | (R)-1-(3-(1H-1,2,4-TRIAZOL-1-YL)PHENYLSULFONYL)-4-(4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL)-2-METHYLPIPERAZINE | 3hfg | B | S125 L126 A226 | 17R | | (R)-1-(3-(1H-1,2,4-TRIAZOL-1-YL)PHENYLSULFONYL)-4-(4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL)-2-METHYLPIPERAZINE | 3hfg | C | S125 L126 A226 | 07M | | 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE | 3tfq | A | S125 L126 A226 | 07M | | 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE | 3tfq | B | S125 L126 A226 | 07M | | 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE | 3tfq | D | S125 L126 A226 | 07M | | 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE | 3tfq | E | S125 L126 A226 | NAP | | NADP ZWITTERION | 2irw | A | S67 T92 | NAP | | NADP ZWITTERION | 3hfg | C | S67 T92 | NAP | | NADP ZWITTERION | 3oq1 | A | S67 T92 |