Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052045
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 |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.72 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.75 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.76 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.72 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.72 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.74 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.78 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.78 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.73 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.83 | |
PYS | 2-PYRIDINETHIOL | A,B | 1CTE | 0.7 | |
PYS | 2-PYRIDINETHIOL | A | 2IPP | 0.7 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.7 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.89 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.73 |