Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00506323
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 |
4MR![]() | 5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN- 2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)- TRIONE | A,B | 2OVX | 0.74 | ![]() |
1N8![]() | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[2-(METHYLAMINO)QUINAZOLIN-6- YL]BENZAMIDE | A,B | 2OG8 | 0.71 | ![]() |
608![]() | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.71 | ![]() |
553![]() | (7S)-2-(2-aminopyrimidin-4-yl)- 7-(2-fluoroethyl)-1,5,6,7-tetrahydro- 4H-pyrrolo[3,2-c]pyridin-4-one | A,B | 3DU8 | 0.73 | ![]() |
406![]() | N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)- 4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN- 1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | A,B | 2E2B | 0.76 | ![]() |
3BI![]() | (2S)-2-{[(R)-[(3R)-3-carboxy-3- {[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid | A | 3BI1 | 0.73 | ![]() |
627![]() | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4- C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN- 1-YL)BENZAMIDE | A,B | 2J50 | 0.72 | ![]() |
627![]() | N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4- C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN- 1-YL)BENZAMIDE | A,B | 2V7A | 0.72 | ![]() |
4QB![]() | 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-HEXANOYLAMINO}-4- OXO-BUTYRIC ACID | A | 1RWN | 0.73 | ![]() |
4RB![]() | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2- b]pyridazin-3-yl)benzoic acid | A | 3BQR | 0.72 | ![]() |
199![]() | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.73 | ![]() |
20A![]() | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro- 2H-pyran-4-ylamino)-1H-pyrazolo[3,4- b]pyridine-5-carboxamide | A | 3D3P | 0.71 | ![]() |
859![]() | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.75 | ![]() |
7CS![]() | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL 1H-PYRROLO[2,3-B]PYRIDINE- 3-CARBOXYLATE | A | 2QHM | 0.72 | ![]() |
AM5![]() | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin- 1-yl)phenyl]amino}pyrimidin-5-yl)- N~1~-[3-(trifluoromethyl)phenyl]benzene- 1,3-dicarboxamide | A | 3BYS | 0.73 | ![]() |
1PU![]() | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GII | 0.71 | ![]() |
1PU![]() | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GIH | 0.71 | ![]() |
2SM![]() | methyl 2-{[(4-methylpyrimidin-2- yl)carbamoyl]sulfamoyl}benzoate | A | 3EA4 | 0.74 | ![]() |
AM6![]() | 2-methyl-N-{4-methyl-3-[(2-{[4- (4-methylpiperazin-1-yl)phenyl]amino}pyrimidin- 5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide | A | 3BYU | 0.73 | ![]() |
24X![]() | H,L | 2EC9 | 0.74 | ![]() | |
8C5![]() | 8-cyclohexyl-N-methoxy-5-oxo-2- {[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}- 5,8-dihydropyrido[2,3-d]pyrimidine- 6-carboxamide | A | 3DPK | 0.72 | ![]() |