Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03702093
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 |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.75 | |
364 | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.71 | |
2FR | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}- 1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide | A | 3DBC | 0.71 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.72 | |
251 | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.73 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.83 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.73 | |
218 | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.7 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.71 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.71 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.71 | |
2PT | 1-[2-(ACRIDIN-9-YLAMINO)ETHYL]- 1,3-DIMETHYLTHIOUREA-PLATINUM(II)- ETHANE-1,2-DIAMINE | B | 1XRW | 0.75 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.87 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.75 | |
278 | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.81 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.76 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.81 | |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.7 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.78 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.82 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.7 | |
084 | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.74 |