Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01147463
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 |
24X![]() | H,L | 2EC9 | 0.71 | ![]() | |
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 | ![]() |
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 | ![]() |
3LG![]() | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)- 6-OXOPIPERAZIN-2-YL]METHOXY}-1H- INDOL-1-YL)ACETIC ACID | B | 2G26 | 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 | 0.73 | ![]() |
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 | ![]() |
43A![]() | (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)- 3-(1H-PYRROL-2-YLMETHYLENE)-1,3- DIHYDRO-2H-INDOL-2-ONE | A | 2AYP | 0.73 | ![]() |
2S3![]() | (2S)-2-(1H-indol-3-yl)pentanoic acid | B | 3C6P | 0.75 | ![]() |
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 | 0.72 | ![]() |
307![]() | 6,7-DIMETHYL-3-[(METHYL{2-[METHYL({1- [3-(TRIFLUOROMETHYL)PHENYL]-1H- INDOL-3-YL}METHYL)AMINO]ETHYL}AMINO)METHYL]- 4H-CHROMEN-4-ONE | A,C | 2AZ5 | 0.72 | ![]() |
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 | 0.75 | ![]() |
368![]() | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.75 | ![]() |
2S2![]() | (2S)-2-(1H-indol-3-yl)hexanoic acid | B | 3C6O | 0.76 | ![]() |
4FW![]() | 4-FLUOROTRYPTOPHANE | A | 1RM9 | 0.71 | ![]() |
39Z![]() | 5-HYDROXY-3-[(1R)-1-(1H-PYRROL- 2-YL)ETHYL]-2H-INDOL-2-ONE | A | 2PE0 | 0.7 | ![]() |
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 | ![]() |
3IL![]() | 3-(INDOL-3-YL) LACTATE | A | 2A7P | 0.72 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.74 | ![]() |
3IB![]() | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.74 | ![]() |
19A![]() | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.7 | ![]() |
2S8![]() | (2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid | B | 3C6N | 0.74 | ![]() |