Ligand |
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| Ligand Name: fosfomycin | ||
| Canonical SMILES: C[C@@H]1O[C@@H]1P(O)(O)=O | ||
| Standard InChI: InChI=1S/C3H7O4P/c1-2-3(7-2)8(4,5)6/h2-3H,1H3,(H2,4,5,6)/t2-,3+/m0/s1 | ||
| HET Code: FFQ | PubChem: 446987 | |
| DrugBank: DB00828 | ChEMBL: CHEMBL1757 | |
| Molecular Formula: C3H7O4P | Mol. Weight: 138.0082 | logP: -0.0911 |
| HBD: 2 | HBA: 2 | |
| #Rotatable Bonds: 1 | TPSA: 70.06 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Epoxide Opening | CYS 115 | A | 19.22 | 13.48 | Epoxide |  |
Binding Affinity |
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