Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00100489
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 |
364 | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.71 | |
793 | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.73 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.72 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.71 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.83 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.74 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.74 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.72 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.73 | |
460 | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.71 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.71 | |
3SC | 5-(2,3-dichlorophenyl)-N-(pyridin- 4-ylmethyl)-3-thiocyanatopyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3P | 0.7 | |
5CH | 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]- 2,3'-bipyridine | A | 3CFL | 0.76 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.73 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.77 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.83 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.73 | |
170 | (2-[6-CHLORO-3-{[2,2-DIFLUORO-2- (1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}- 2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO- 2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE | A,B | 1SL3 | 0.7 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.78 | |
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 | 0.83 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.72 |