Ligand |
||
 | ||
| Ligand Name: Lactivicin | ||
| Canonical SMILES: CC(=O)N[C@H]1CON(C1=O)[C@@]1(CCC(=O)O1)C(O)=O | ||
| Standard InChI: InChI=1S/C10H12N2O7/c1-5(13)11-6-4-18-12(8(6)15)10(9(16)17)3-2-7(14)19-10/h6H,2-4H2,1H3,(H,11,13)(H,16,17)/t6-,10+/m0/s1 | ||
| HET Code: L4C | PubChem: 9816929 | |
| DrugBank: - | ChEMBL: CHEMBL575528 | |
| Molecular Formula: C10H12N2O7 | Mol. Weight: 272.06445 | logP: -1.6172 |
| HBD: 2 | HBA: 6 | |
| #Rotatable Bonds: 3 | TPSA: 122.24 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Ring Opening | SER 70 | A | 12.35 | - | Isoxazolidin-3-one |  |
Binding Affinity |
||
- |