Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00135000
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 | 0.7 | |
2SC | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5- a]pyrimidin-3-yl)methanol | A | 2R3O | 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 | 0.73 | |
1PU | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H- PYRROLO[2,1-A]ISOINDOL-9-YL)-3- PYRIDIN-2-YL-UREA | A | 1GIH | 0.73 | |
199 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.71 | |
3FR | 3'-chloro-5'-(3-methyl-6-{[(1S)- 1-phenylethyl]amino}-1H-pyrazolo[4,3- c]pyridin-1-yl)biphenyl-2-carboxamide | A | 3DBD | 0.74 | |
5SC | 3-((3-bromo-5-o-tolylpyrazolo[1,5- a]pyrimidin-7-ylamino)methyl)pyridine 1- oxide | A | 2R3Q | 0.71 | |
6SC | 3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3R | 0.72 | |
7CS | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL 1H-PYRROLO[2,3-B]PYRIDINE- 3-CARBOXYLATE | A | 2QHM | 0.76 | |
4RB | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2- b]pyridazin-3-yl)benzoic acid | A | 3BQR | 0.8 | |
5FR | 4-({1-[3-(3-amino-3-oxopropyl)- 5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3- c]pyridin-6-yl}amino)-3-methoxy- N-(1-methylpiperidin-4-yl)benzamide | A | 3DBF | 0.7 | |
279 | N-ethyl-4-{[5-(methoxycarbamoyl)- 2-methylphenyl]amino}-5-methylpyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG5 | 0.72 | |
5BP | N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin- 3-ylpyrimidin-2-amine | A,C | 3EJ1 | 0.7 | |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.77 | |
24X | H,L | 2EC9 | 0.72 | ||
20A | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro- 2H-pyran-4-ylamino)-1H-pyrazolo[3,4- b]pyridine-5-carboxamide | A | 3D3P | 0.82 | |
003 | 5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN- 1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4- D]PYRIMIDINE-4,6(5H,7H)-DIONE | A,B | 2JFZ | 0.71 | |
325 | N-{2,4-difluoro-3-[(5-pyridin-3- yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | A | 3C4D | 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 | 0.71 | |
2SM | methyl 2-{[(4-methylpyrimidin-2- yl)carbamoyl]sulfamoyl}benzoate | A | 3EA4 | 0.74 | |
3JZ | N-methyl-N-{2-[({2-[(2-oxo-2,3- dihydro-1H-indol-5-yl)amino]-5- (trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide | A | 3FZR | 0.72 |