Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01206475
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 |
582![]() | 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H- PYRAZOLO[4,3-C]QUINOLIN-4-ONE | A | 2QHN | 0.74 | ![]() |
4QC![]() | 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL- 4-YL}-7-OXO-3-(TRIFLUOROMETHYL)- 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4- C]PYRIDIN-1-YL]BENZAMIDE | A | 2G00 | 0.75 | ![]() |
306![]() | 3-[5-(PIPERIDIN-1-YLMETHYL)-1H- INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN- 2(1H)-ONE | A | 2HY0 | 0.72 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.71 | ![]() |
5DE![]() | 1-(4-AMINOPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2E | 0.72 | ![]() |
34Q![]() | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.76 | ![]() |
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 | 0.73 | ![]() |
580![]() | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.72 | ![]() |
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 | 0.7 | ![]() |
7AD![]() | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 0.74 | ![]() |
464![]() | 3-[5-({5-[(AMINOCARBONYL)AMINO]- 2-OXO-2H-INDOL-3-YL}METHYL)-1H- PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE | A | 2PE2 | 0.71 | ![]() |
20A![]() | 1-ethyl-N-(phenylmethyl)-4-(tetrahydro- 2H-pyran-4-ylamino)-1H-pyrazolo[3,4- b]pyridine-5-carboxamide | A | 3D3P | 0.71 | ![]() |
2FR![]() | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.72 | ![]() |
793![]() | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.71 | ![]() |
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 | ![]() |
33A![]() | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OK1 | 0.72 | ![]() |
33A![]() | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJI | 0.72 | ![]() |
19A![]() | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.77 | ![]() |
279![]() | N-ethyl-4-{[5-(methoxycarbamoyl)- 2-methylphenyl]amino}-5-methylpyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG5 | 0.75 | ![]() |
311![]() | (3,3-dimethylpiperidin-1-yl)(6- (3-fluoro-4-methylphenyl)pyridin- 2-yl)methanone | A,B,D,E | 3CH6 | 0.71 | ![]() |
3DE![]() | 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE- 4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2C | 0.7 | ![]() |