Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00274330
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 |
218 | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.72 | |
364 | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.71 | |
793 | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.75 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.77 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.76 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.73 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.82 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.71 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.71 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.71 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.75 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.76 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.72 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.74 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.71 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.8 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.8 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.75 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.78 | |
11P | [(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid) | A | 2RAH | 0.71 | |
1BY | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.7 | |
3B3 | (2S)-1-AMINO-3-[(5-NITROQUINOLIN- 8-YL)AMINO]PROPAN-2-OL | A | 2CGV | 0.7 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.72 |