Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00979336
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 |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.71 |  |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.71 | |
K30 | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)- 3-fluoro-1-methylpiperidin-4-yl]- 2-(hydroxymethyl)-N-methyl-2-phenyl- 2,5-dihydro-1H-pyrrole-1-carboxamide | A,B | 3CJO | 0.72 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.71 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.8 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.72 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.8 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.76 | |
L18 | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.73 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.71 | |
N2T | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.8 | |
DPK | DEPRENYL | A,B | 2BYB | 0.72 | |