Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01739061
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 |
I3N | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.74 | |
IID | N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE | A,B | 2BQ7 | 0.71 | |
IMS | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYU | 0.71 | |
2S8 | (2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid | B | 3C6N | 0.71 | |
IM8 | 2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE | P | 2OYE | 0.71 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGF | 0.73 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGG | 0.73 | |
IOK | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE | A,B | 2IOK | 0.74 | |
330 | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4- (2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE | A | 2IO6 | 0.71 | |
783 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-5-METHOXY-1,1'-BIPHENYL-2- OLATE | A | 1O2T | 0.71 | |
6IN | 4-(1-BENZYL-3-CARBAMOYLMETHYL-2- METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID | A | 1DB5 | 0.75 | |
43A | (3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)- 3-(1H-PYRROL-2-YLMETHYLENE)-1,3- DIHYDRO-2H-INDOL-2-ONE | A | 2AYP | 0.73 | |
V5X | (2R)-N~8~-HYDROXY-2-{[(5-METHOXY- 2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}- N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE | A,B | 2V5X | 0.77 | |
ML2 | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX9 | 0.76 | |
ML2 | N-[2-(2-iodo-5-methoxy-1H-indol- 3-yl)ethyl]acetamide | A,B | 2QX8 | 0.76 | |
824 | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE | A | 1X8B | 0.74 | |
ET0 | 3-(5-methoxy-1H-indol-3-yl)propanoic acid | A,B | 3ET0 | 0.73 | |
DX8 | 2-amino-6-(4-methoxyphenyl)-4-oxo- 4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine- 5-carbonitrile | A,B,C,D | 3BMK | 0.76 | |
642 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin- 4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane- 1-carboxylic acid | A,B | 3EWJ | 0.71 | |
TRO | 2-HYDROXY-TRYPTOPHAN | A | 1KB0 | 0.72 | |
TRO | 2-HYDROXY-TRYPTOPHAN | A | 1G3P | 0.72 | |
IMN | INDOMETHACIN | A | 2BXM | 0.71 | |
IMN | INDOMETHACIN | A | 3FO7 | 0.71 | |
IMN | INDOMETHACIN | A,B,C,D | 1Z9H | 0.71 | |
IMN | INDOMETHACIN | A | 2BXQ | 0.71 | |
IMN | INDOMETHACIN | A,B,C,D | 4COX | 0.71 | |
IMN | INDOMETHACIN | A | 2ALT | 0.71 | |
IMN | INDOMETHACIN | A | 2OTH | 0.71 | |
IMN | INDOMETHACIN | A,B | 2DM6 | 0.71 | |
IMN | INDOMETHACIN | A | 1S2A | 0.71 | |
IMN | INDOMETHACIN | A | 2ZB8 | 0.71 | |
IMN | INDOMETHACIN | A | 3HWZ | 0.71 | |
IMN | INDOMETHACIN | A | 2BXK | 0.71 | |
SU1 | 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL- 2-YL)METHYLENE]-2-INDOLINONE | A,B | 1FGI | 0.71 | |
550 | methyl (1R,2S)-2-(hydroxycarbamoyl)- 1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | A,B | 3EDZ | 0.7 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX4 | 0.74 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QX6 | 0.74 | |
ML1 | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide | A,B | 2QWX | 0.74 | |
IOG | N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)- 1H-INDOL-3-YL]ACETAMIDE | A | 2IOG | 0.73 | |
AX1 | 2-amino-6-(1,3-benzodioxol-5-yl)- 4-oxo-4,7-dihydro-3H-pyrrolo[2,3- d]pyrimidine-5-carbonitrile | A,B,C,D | 3BML | 0.73 | |
CIA | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A,B | 1UDU | 0.73 | |
CIA | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL- 2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4- B]INDOLE-1,4-DIONE | A | 1XOZ | 0.73 | |
541 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.71 | |
TBV | 3-[2-[[3-(2-CARBOXYETHYL)-5-[[3- ETHENYL-4-METHYL-5-[(2-METHYLPROPAN- 2-YL)OXY]-1H-PYRROL-2-YL]METHYL]- 4-METHYL-1H-PYRROL-2-YL]METHYL]- 5-[(Z)-(4-ETHENYL-3-METHYL-5-OXO- PYRROL-2-YLIDENE)METHYL]-4-METHYL- 1H-PYRROL-3-YL]PROPANOIC ACID | A | 2WD4 | 0.75 | |
A53 | 5-{5-[(S)-2-AMINO-3-(1H-INDOL-3- YL)-PROPOXYL]-PYRIDIN-3-YL}-3-[1- (1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]- 1,3-DIHYDRO-INDOL-2-ONE | A | 2GHG | 0.72 | |
8IN | [3-(1-BENZYL-3-CARBAMOYLMETHYL- 2-METHYL-1H-INDOL-5-YLOXY)-PROPYL- ]-PHOSPHONIC ACID | A | 1DB4 | 0.74 |