Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021058
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 |
714![]() | 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium | A,B | 3EFQ | 0.71 | ![]() |
L92![]() | (2S)-3-{4-[3-(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)PROPYL]PHENYL}- 2-(1H-PYRROL-1-YL)PROPANOIC ACID | A | 2Q8S | 0.73 | ![]() |
D3G![]() | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.79 | ![]() |
D2G![]() | N-METHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDV | 0.79 | ![]() |
722![]() | 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium | A,B | 3EGT | 0.71 | ![]() |
D1G![]() | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.81 | ![]() |
721![]() | 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium | A,B | 3DYH | 0.72 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.71 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.71 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.71 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.71 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.71 | ![]() |
B71![]() | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2ZEU | 0.7 | ![]() |
B71![]() | 3-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2ZEV | 0.7 | ![]() |
282![]() | 3-methoxypyridine | X | 2RBZ | 0.73 | ![]() |