Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03697913
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 |
GVO | (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H- PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW6 | 0.73 | |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.71 | |
L02 | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL- 5-YL]PIPERIDINE | B,I | 1WAY | 0.76 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.71 | |
GVP | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL- 4-YL)PHENYL]PIPERIDINE | A | 2UW9 | 0.75 | |
GVP | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL- 4-YL)PHENYL]PIPERIDINE | A | 2UW7 | 0.75 | |
LZ5 | N-phenyl-1H-pyrazole-3-carboxamide | A | 2VTL | 0.73 | |
306 | 3-[5-(PIPERIDIN-1-YLMETHYL)-1H- INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN- 2(1H)-ONE | A | 2HY0 | 0.73 | |
19A | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.76 | |
LIG | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.72 | |
LZ1 | 1H-indazole | A,B | 3E6I | 0.72 | |
LZ1 | 1H-indazole | A | 2VTA | 0.72 | |
GVN | (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H- PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW5 | 0.73 | |
LZ8 | (4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]- 4H-pyrazole-3-carboxamide | A | 2VTO | 0.74 | |
A17 | N-cyclopropyl-4-methyl-3-[1-(2- methylphenyl)phthalazin-6-yl]benzamide | A,B,C,D | 3DS6 | 0.75 | |
D31 | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)- N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2- C]PYRAZOL-5-YL)ACETAMIDE | A | 2B55 | 0.73 | |
L15 | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.81 | |
LZ7 | 4-(acetylamino)-N-(4-fluorophenyl)- 1H-pyrazole-3-carboxamide | A | 2VTN | 0.73 | |
FRB | 2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO- PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN- 1-YL}-2-OXO-ETHYL)-2-GUANIDINO- ACETAMIDE | A,B | 1PW6 | 0.72 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.75 | |
GVG | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.79 | |
582 | 5-ETHYL-3-METHYL-1,5-DIHYDRO-4H- PYRAZOLO[4,3-C]QUINOLIN-4-ONE | A | 2QHN | 0.76 |