Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02204076
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 |
GPI![]() | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.71 | ![]() |
C53![]() | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.7 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.82 | ![]() |
DA1![]() | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.72 | ![]() |
D4G![]() | A,B,C,D | 2FDY | 0.75 | ![]() | |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.81 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.81 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.81 | ![]() |
282![]() | 3-methoxypyridine | X | 2RBZ | 0.71 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.71 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.71 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.77 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.77 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.77 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.77 | ![]() |
2AP![]() | 2-AMINOPYRIDINE | A | 1AEO | 0.72 | ![]() |
3AP![]() | 3-AMINOPYRIDINE | A | 1AEF | 0.75 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.76 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.73 | ![]() |
364![]() | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.72 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.81 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.81 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.77 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.77 | ![]() |
4AP![]() | 4-AMINOPYRIDINE | A | 1AEG | 0.75 | ![]() |
ISQ![]() | ISOQUINOLINE | A | 1GDK | 0.73 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.72 | ![]() |