Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00046446
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 |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.82 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.84 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.84 | |
AS3 | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.71 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.78 | |
2PT | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.73 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.72 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.72 | |
251 | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.74 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.73 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.88 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.7 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.84 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.72 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.7 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.78 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.71 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.71 | |
580 | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.71 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.75 | |
26D | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.71 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.72 |