Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03401491
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 | 0.83 | ![]() |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.72 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.76 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.76 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.76 | ![]() |
460![]() | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.71 | ![]() |
5IQ![]() | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.82 | ![]() |
364![]() | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.7 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.89 | ![]() |
1BY![]() | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.73 | ![]() |
5MP![]() | 5-METHYLPYRROLE | A | 1LI6 | 0.71 | ![]() |
245![]() | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.73 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.78 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.77 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.78 | ![]() |
3AP![]() | 3-AMINOPYRIDINE | A | 1AEF | 0.83 | ![]() |
246![]() | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.76 | ![]() |
2AP![]() | 2-AMINOPYRIDINE | A | 1AEO | 0.79 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.87 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.87 | ![]() |
4AP![]() | 4-AMINOPYRIDINE | A | 1AEG | 0.84 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.82 | ![]() |
26D![]() | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.71 | ![]() |