Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03454080
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 |
6NP | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3- (NAPHTHALEN-2-YL)-4-(PYRIDIN-4- YL)PYRAZINE | A | 1YQJ | 0.73 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.83 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.75 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.75 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.83 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.75 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.72 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.7 | |
460 | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.81 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.85 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.79 | |
736 | (11S)-8-CHLORO-11-[1-(METHYLSULFONYL)PIPERIDIN- 4-YL]-6-PIPERAZIN-1-YL-11H-BENZO[5,6]CYCLOHEPTA[1,2- B]PYRIDINE | B | 2BED | 0.74 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.8 | |
793 | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.72 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.72 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.72 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.72 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.78 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.83 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.72 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.72 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.72 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.72 |