Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03884499
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 |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.8 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.8 | ![]() |
251![]() | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.74 | ![]() |
2PT![]() | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.75 | ![]() |
2MI![]() | 2-METHYL-1H-INDOLE | A | 2PIO | 0.73 | ![]() |
2AQ![]() | QUINOLIN-2-AMINE | A | 2OHL | 0.74 | ![]() |
311![]() | (3,3-dimethylpiperidin-1-yl)(6- (3-fluoro-4-methylphenyl)pyridin- 2-yl)methanone | A,B,D,E | 3CH6 | 0.72 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.81 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.81 | ![]() |
246![]() | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.77 | ![]() |
3AP![]() | 3-AMINOPYRIDINE | A | 1AEF | 0.79 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.89 | ![]() |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.79 | ![]() |
22M![]() | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.7 | ![]() |
23M![]() | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.7 | ![]() |
084![]() | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.73 | ![]() |
245![]() | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.72 | ![]() |
2AP![]() | 2-AMINOPYRIDINE | A | 1AEO | 0.71 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.82 | ![]() |
364![]() | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.74 | ![]() |