Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02339750
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 |
PHN![]() | 1,10-PHENANTHROLINE | A | 1LIH | 0.73 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 2LIG | 0.73 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.73 | ![]() |
QMS![]() | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.72 | ![]() |
DPT![]() | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.72 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.73 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.73 | ![]() |
34Q![]() | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.83 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.81 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.81 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.81 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.81 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.81 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.81 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.81 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.81 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.81 | ![]() |
YE7![]() | IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE | A | 2P98 | 0.77 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.72 | ![]() |
LUM![]() | LUMICHROME | A | 2CC6 | 0.7 | ![]() |
LUM![]() | LUMICHROME | A,B | 1S4M | 0.7 | ![]() |
LUM![]() | LUMICHROME | A | 2CC7 | 0.7 | ![]() |
LUM![]() | LUMICHROME | A | 1HE5 | 0.7 | ![]() |
BO2![]() | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]- N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | 2,H,K,N,V,Y | 2F16 | 0.73 | ![]() |
CNQ![]() | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.76 | ![]() |
C48![]() | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.7 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.7 | ![]() |
460![]() | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.78 | ![]() |
IHZ![]() | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.7 | ![]() |
QYT![]() | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.75 | ![]() |