Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03063386
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 |
C4C | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.76 | |
793 | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.73 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.8 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.72 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.75 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.75 | |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.73 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.73 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.74 | |
8IP | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.73 | |
736 | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN- 4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2- B]PYRIDINE | B | 2BED | 0.76 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.77 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.71 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.74 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.74 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.74 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.82 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.72 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.72 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.77 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.76 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.76 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.74 |