Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03022806
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 |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.82 | |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.71 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.73 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.8 | |
255 | N-(tert-butyl)-4-[5-(pyridin-2- ylamino)quinolin-3-yl]benzenesulfonamide | A,B | 2R9S | 0.7 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.71 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.78 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.78 | |
1BY | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.81 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.73 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.75 | |
218 | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.75 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.83 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.74 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.76 | |
1BN | 1-BENZYL-1H-IMIDAZOLE | A,B | 2AFX | 0.73 | |
084 | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.75 | |
3BD | 7-amino-2-tert-butyl-4-(4-pyrimidin- 2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine- 6-carboxamide | A | 3BAB | 0.72 | |
2SC | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5- a]pyrimidin-3-yl)methanol | A | 2R3O | 0.71 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.7 | |
26D | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.76 |