Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00097280
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 |
QNC | 2-CARBONYLQUINOLINE | A,B | 1MTB | 0.75 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGV | 0.75 | |
QNC | 2-CARBONYLQUINOLINE | I | 1IVQ | 0.75 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 2FGU | 0.75 | |
QNC | 2-CARBONYLQUINOLINE | A | 1JLD | 0.75 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1HXB | 0.75 | |
34Q | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.8 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.74 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.74 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.72 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.87 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.87 | |
QUI | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.87 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.87 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.87 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.87 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.87 | |
QUI | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.87 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.87 | |
793 | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.7 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | |
BO2 | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]- N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | 2,H,K,N,V,Y | 2F16 | 0.71 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.75 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.73 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.75 | |
CNQ | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.74 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.7 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.7 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.7 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.73 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.71 | |
NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.71 | |
NCA | NICOTINAMIDE | A,B | 1DMA | 0.71 | |
NCA | NICOTINAMIDE | A,B | 1ISM | 0.71 | |
NCA | NICOTINAMIDE | A,B | 1YC5 | 0.71 | |
NCA | NICOTINAMIDE | A | 2ZB7 | 0.71 | |
NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.71 | |
NCA | NICOTINAMIDE | A,B | 2QQG | 0.71 | |
NCA | NICOTINAMIDE | A | 2OTV | 0.71 | |
NCA | NICOTINAMIDE | A | 2QHF | 0.71 | |
NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.71 | |
NCA | NICOTINAMIDE | A,B | 2HJH | 0.71 | |
NCA | NICOTINAMIDE | A | 2A15 | 0.71 | |
NCA | NICOTINAMIDE | A | 2R6V | 0.71 | |
NCA | NICOTINAMIDE | A,B | 1ISI | 0.71 | |
NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.71 | |
NCA | NICOTINAMIDE | A | 2H4J | 0.71 | |
NCA | NICOTINAMIDE | A,B | 2OD9 | 0.71 | |
NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.71 | |
NCA | NICOTINAMIDE | A,B | 3DZG | 0.71 | |
NCA | NICOTINAMIDE | A | 1OJU | 0.71 | |
460 | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.7 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.76 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.76 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.76 | |
QYT | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.75 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.7 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.7 |