Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01385505
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 |
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 | 0.72 | |
304 | N-[2-methyl-5-(methylcarbamoyl)phenyl]- 2-{[(1R)-1-methylpropyl]amino}- 1,3-thiazole-5-carboxamide | A | 3BX5 | 0.72 | |
199 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.8 | |
1N8 | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[2-(METHYLAMINO)QUINAZOLIN-6- YL]BENZAMIDE | A,B | 2OG8 | 0.76 | |
325 | N-{2,4-difluoro-3-[(5-pyridin-3- yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | A | 3C4D | 0.72 | |
19A | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 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 | 0.7 | |
12C | 4-[(3S)-1-AZABICYCLO[2.2.2]OCT- 3-YLAMINO]-3-(1H-BENZIMIDAZOL-2- YL)-6-CHLOROQUINOLIN-2(1H)-ONE | A | 2GDO | 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 | 0.78 | |
24A | {[(4-{[2-(4-AMINOCYCLOHEXYL)-9- ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID | A,B | 2BDF | 0.7 | |
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 | 0.76 | |
242 | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL- N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2OFV | 0.74 | |
373 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN- 2(1H)-ONE | A | 2HXQ | 0.7 | |
146 | [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]- 3,3'-{{TETRAHYDRO-5,6-DIHYDROXY- 2-OXO-4,7-BIS(PHENYLMETHYL)-1H- 1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N- 1H-BENZIMIDAZOL-2-YLBENZAMIDE] | B | 1QBT | 0.73 | |
146 | [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]- 3,3'-{{TETRAHYDRO-5,6-DIHYDROXY- 2-OXO-4,7-BIS(PHENYLMETHYL)-1H- 1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N- 1H-BENZIMIDAZOL-2-YLBENZAMIDE] | B | 1BWB | 0.73 | |
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 | 0.72 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.86 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.86 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.86 | |
279 | N-ethyl-4-{[5-(methoxycarbamoyl)- 2-methylphenyl]amino}-5-methylpyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG5 | 0.74 | |
344 | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5- G]QUINAZOLIN-8-ONE | A | 2BBF | 0.86 | |
1PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GII | 0.76 | |
1PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GIH | 0.76 | |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.74 |