Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03590248
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 |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.79 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.82 | |
855 | 2-(6-methylpyridin-2-yl)-N-pyridin- 4-ylquinazolin-4-amine | A | 3HMM | 0.71 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.93 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.71 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.77 | |
26D | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.86 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.79 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.74 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.72 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.71 | |
218 | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.71 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.74 | |
1BY | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.86 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.74 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.74 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.74 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.78 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.77 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.79 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.79 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.82 | |
8IP | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.77 |