Ligand |
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| Ligand Name: Faropenem | ||
| Canonical SMILES: C[C@@H](O)[C@@H]1[C@H]2SC([C@H]3CCCO3)=C(N2C1=O)C(O)=O | ||
| Standard InChI: InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | ||
| HET Code: 5KO | PubChem: 65894 | |
| DrugBank: DB12190 | ChEMBL: CHEMBL556262 | |
| Molecular Formula: C12H15NO5S | Mol. Weight: 285.0671 | logP: 0.3737 |
| HBD: 2 | HBA: 5 | |
| #Rotatable Bonds: 3 | TPSA: 87.07 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Beta-Lactam Addition | CYS 226 | A | 8.16 | 12.16 | Beta-Lactam |  |
Binding Affinity |
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