Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00234139
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 |
DF1![]() | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3- D]PYRIMIDIN-4-YL)AMINO]PROPAN-2- OL | A | 2BRN | 0.71 | ![]() |
4HI![]() | (3R,5R)-7-[4-(benzylcarbamoyl)- 2-(4-fluorophenyl)-5-(1-methylethyl)- 1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid | B,C,D | 3CCW | 0.75 | ![]() |
AM9![]() | 6-(2,6-dimethylphenyl)-2-{[4-(4- methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2- a]benzimidazol-5(6H)-one | A | 3BYO | 0.73 | ![]() |
8FG![]() | N-(5'-PHOSPHO-2'-DEOXYGUANOSIN- 8-YL)-2-ACETYLAMINOFLUORENE | A,C,D | 1X9M | 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 | 0.75 | ![]() |
356![]() | 8-[(3R)-3-Aminopiperidin-1-yl]- 7-but-2-yn-1-yl-3-methyl-1-[(4- methylquinazolin-2-yl)methyl]-3,7- dihydro-1H-purine-2,6-dione | A,B | 2RGU | 0.8 | ![]() |
6HI![]() | (3R,5R)-7-{2-[(4-fluorobenzyl)carbamoyl]- 4-(4-fluorophenyl)-1-(1-methylethyl)- 1H-imidazol-5-yl}-3,5-dihydroxyheptanoic acid | B,C,D | 3CD0 | 0.71 | ![]() |
BMI![]() | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL- 1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN- 2-YLMETHYL)AMINO]PYRIDIN-2(1H)- ONE | A | 2OJ9 | 0.71 | ![]() |
C24![]() | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.72 | ![]() |
55F![]() | N-[4-(5-fluoro-6-methylpyridin- 2-yl)-5-quinoxalin-6-yl-1H-imidazol- 2-yl]acetamide | A,B,C,D,E | 3FAA | 0.7 | ![]() |
FR3![]() | 1-((1R)-1-(HYDROXYMETHYL)-3-(1- NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4- CARBOXAMIDE | A | 1NDY | 0.73 | ![]() |
DFZ![]() | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | A | 2BRM | 0.71 | ![]() |
BPG![]() | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | A,B | 1QHI | 0.78 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.71 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.71 | ![]() |
120![]() | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.71 | ![]() |
CK9![]() | 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}- 9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL | X | 2A0C | 0.71 | ![]() |
AAI![]() | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.72 | ![]() |
3IN![]() | N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY- 3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO- CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)- 3-CHLORO-PYRAZINYL-5-CARBONYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL- PENTANAMIDE | B | 2BPZ | 0.71 | ![]() |
3IN![]() | N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY- 3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO- CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)- 3-CHLORO-PYRAZINYL-5-CARBONYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL- PENTANAMIDE | B | 2BPY | 0.71 | ![]() |
3IN![]() | N-[2(S)-CYCLOPENTYL-1(R)-HYDROXY- 3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO- CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)- 3-CHLORO-PYRAZINYL-5-CARBONYL)- PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL- PENTANAMIDE | B | 1C6X | 0.71 | ![]() |
FR2![]() | 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1NDW | 0.76 | ![]() |
CF2![]() | 2'-deoxy-5'-O-{[2-(7,8-dimethyl- 2,4-dioxo-3,4-dihydrobenzo[g]pteridin- 10(2H)-yl)ethyl]carbamoyl}guanosine | A | 2VKF | 0.71 | ![]() |
FAO![]() | A,B | 2JBV | 0.7 | ![]() |