Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00828994
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 |
084 | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.71 | |
5MB | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.76 | |
653 | 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]- 1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL- 2-OLATE | A | 1O38 | 0.72 | |
653 | 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]- 1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL- 2-OLATE | A | 1O37 | 0.72 | |
121 | 2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE- 5-CARBOXAMIDINE | H,I,L | 1GHY | 0.73 | |
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 | |
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 | 0.78 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.72 | |
607 | 2-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]- 1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'- BIPHENYL-3-YL)SUCCINATE | A | 1O36 | 0.7 | |
567 | 2-[[(2R)-1-[[(2S)-5-amino-1-[(4- carbamimidoylphenyl)methylamino]- 1,5-dioxo-pentan-2-yl]amino]-3- (1H-indol-3-yl)-1-oxo-propan-2- yl]sulfamoyl]ethanoic acid | H,L | 2ZWL | 0.72 | |
199 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.73 | |
4F3 | [2-(1-AMINO-2-HYDROXY-PROPYL)-4- (4-FLUORO-1H-INDOL-3-YLMETHYL)- 5-HYDROXY-IMIDAZOL-1-YL]-ACETIC ACID | A | 1RM9 | 0.8 | |
2IG | 6-ETHYL-5-[9-(3-METHOXYPROPYL)- 9H-CARBAZOL-2-YL]PYRIMIDINE-2,4- DIAMINE | A,B | 2G1O | 0.74 | |
5ZA | (5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]- 5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]- 3-(2-HYDROXYETHYL)-3,5-DIHYDRO- 4H-IMIDAZOL-4-ONE | A | 1OXF | 0.75 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.74 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.74 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.74 | |
22M | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.7 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.7 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.7 | |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.7 | |
251 | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.71 | |
55F | N-[4-(5-fluoro-6-methylpyridin- 2-yl)-5-quinoxalin-6-yl-1H-imidazol- 2-yl]acetamide | A,B,C,D,E | 3FAA | 0.76 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.75 |