Ligand |
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| Ligand Name: avibactam | ||
| Canonical SMILES: [C@@H]12CC[C@@H](C(=O)N)N(C1)C(=O)N2OS([O-])(=O)=O | ||
| Standard InChI: InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/p-1/t4-,5+/m1/s1 | ||
| HET Code: NXL | PubChem: 58319026 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C7H10N3O6S- | Mol. Weight: 264.02957 | logP: -1.8679 |
| HBD: 1 | HBA: 6 | |
| #Rotatable Bonds: 3 | TPSA: 133.07 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Imidazolidinone Opening | SER 43 | A | 16.64 | - | Imidazolidinone |  |
Binding Affinity |
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- |