Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00565787
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
162 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-3-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL} -1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1NZQ | 0.74 | |
55F | N-[4-(5-fluoro-6-methylpyridin- 2-yl)-5-quinoxalin-6-yl-1H-imidazol- 2-yl]acetamide | A,B,C,D,E | 3FAA | 0.75 | |
553 | (7S)-2-(2-aminopyrimidin-4-yl)- 7-(2-fluoroethyl)-1,5,6,7-tetrahydro- 4H-pyrrolo[3,2-c]pyridin-4-one | A,B | 3DU8 | 0.74 | |
1N8 | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[2-(METHYLAMINO)QUINAZOLIN-6- YL]BENZAMIDE | A,B | 2OG8 | 0.71 | |
187 | 1-{3-[AMINO(IMINO)METHYL]PHENYL}- N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]- 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE- 5-CARBOXAMIDE | C | 1X7A | 0.71 | |
199 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.71 | |
5HI | (3R,5R)-7-[2-(4-fluorophenyl)-4- {[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}- 5-(1-methylethyl)-1H-imidazol-1- yl]-3,5-dihydroxyheptanoic acid | A,B,C,D | 3CCZ | 0.72 | |
4F3 | [2-(1-AMINO-2-HYDROXY-PROPYL)-4- (4-FLUORO-1H-INDOL-3-YLMETHYL)- 5-HYDROXY-IMIDAZOL-1-YL]-ACETIC ACID | A | 1RM9 | 0.7 | |
163 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-2-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1O0D | 0.72 | |
1PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GII | 0.72 | |
1PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GIH | 0.72 | |
4HI | (3R,5R)-7-[4-(benzylcarbamoyl)- 2-(4-fluorophenyl)-5-(1-methylethyl)- 1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid | B,C,D | 3CCW | 0.72 | |
084 | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.7 | |
5MB | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.7 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.73 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.73 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.73 | |
517 | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.72 | |
406 | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)- 4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN- 1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A,B | 2E2B | 0.73 | |
3BA | 7-amino-2-tert-butyl-4-{[2-(1H- imidazol-4-yl)ethyl]amino}pyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BAA | 0.71 | |
464 | 3-[5-({5-[(AMINOCARBONYL)AMINO]- 2-OXO-2H-INDOL-3-YL}METHYL)-1H- PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE | A | 2PE2 | 0.71 | |
057 | N-(2-hydroxy-1,1-dimethylethyl)- 1-methyl-3-(1H-pyrrolo[2,3-b]pyridin- 2-yl)-1H-indole-5-carboxamide | A,B | 3FQH | 0.71 | |
3MN | 3-({3-[3-(1H-IMIDAZOL-1-YL)PROPYL]- 5-METHYL-5-(1-NAPHTHYL)-2,4-DIOXOIMIDAZOLIDIN- 1-YL}METHYL)BENZONITRILE | B | 2F0Y | 0.71 |