Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03901482
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 |
411 | 3-bromo-N-[4-[1-(2-carbamimidamido- 2-oxo-ethyl)-5-phenyl-pyrrol-2- yl]phenyl]benzamide | A | 2ZE1 | 0.73 | |
2S8 | (2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid | B | 3C6N | 0.76 | |
3LP | 1-(CYCLOHEXYLAMINO)-3-(6-METHYL- 3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN- 2-OL | A,B,C,D,E,F | 2P6G | 0.71 | |
117 | 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL- 3-PHENYL-4-PHENYLCARBAMOYL-PYRROL- 1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWK | 0.74 | |
3HI | (3R,5R)-7-[2-(4-fluorophenyl)-4- [(2-hydroxyphenyl)carbamoyl]-5- (1-methylethyl)-3-phenyl-1H-pyrrol- 1-yl]-3,5-dihydroxyheptanoic acid | B,C,D | 3CCT | 0.71 | |
2CC | 3,4-bis(7-chloro-1H-indol-3-yl)- 1H-pyrrole-2,5-dicarboxylic acid | A | 3A1L | 0.71 | |
311 | (3,3-dimethylpiperidin-1-yl)(6- (3-fluoro-4-methylphenyl)pyridin- 2-yl)methanone | A,B,D,E | 3CH6 | 0.73 | |
3IO | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | A,B,C,D | 1XES | 0.72 | |
3IO | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | B,C,D | 1XET | 0.72 | |
2S3 | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.75 | |
115 | 7-[3-(4-FLUORO-PHENYL)-1-ISOPROPYL- 1H-INDOL-2-YL]-3,5-DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWI | 0.76 | |
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 | 0.78 | |
3IL | 3-(INDOL-3-YL) LACTATE | A | 2A7P | 0.7 | |
288 | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL- (2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}- AMIDE | A,B | 1XOI | 0.79 | |
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 | |
287 | 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}- 5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG6 | 0.71 | |
2S2 | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.75 | |
373 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN- 2(1H)-ONE | A | 2HXQ | 0.74 | |
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 | 0.79 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.73 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.73 | |
110 | 3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY- 3-[(4-OXO-2-PHENYLMETHANESULFONYL- 1,2,3,4-TETRAHYDRO-PYRROLO[1,2- A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER | A | 1G37 | 0.78 |