Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03002046
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 |
364 | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.71 | |
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 | 0.72 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.75 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.75 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.71 | |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.73 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.9 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.9 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.9 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.74 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.76 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.71 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.75 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.7 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.7 | |
C4C | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.7 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.73 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.73 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.72 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.71 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.71 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.71 | |
D4G | A,B,C,D | 2FDY | 0.79 | ||
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.79 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.79 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.7 |