Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01226919
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 |
34Q![]() | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.8 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.7 | ![]() |
8ST![]() | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.8 | ![]() |
CNQ![]() | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.85 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 1LIH | 0.7 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A | 2LIG | 0.7 | ![]() |
PHN![]() | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.7 | ![]() |
245![]() | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.76 | ![]() |
246![]() | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.72 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.77 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.77 | ![]() |
BFA![]() | 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2- DIMETHYLAMINO-ETHYL)-AMIDE | A,B | 1EG6 | 0.7 | ![]() |
CLQ![]() | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.72 | ![]() |
IHZ![]() | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.72 | ![]() |
QYT![]() | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.74 | ![]() |
BO2![]() | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]- N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | 2,H,K,N,V,Y | 2F16 | 0.72 | ![]() |
IIE![]() | 1-{2-[(4-CHLOROPHENYL)AMINO]-2- OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN- 4-YL)-1H-INDOLE-2-CARBOXAMIDE | B | 2BQW | 0.71 | ![]() |