Ligand |
||
 | ||
| Ligand Name: TAZOBACTAM | ||
| Canonical SMILES: O=C(C1)N([C@@H]12)[C@@H](C([O-])=O)[C@](S2(=O)=O)(C)Cn3ccnn3 | ||
| Standard InChI: InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/p-1/t7-,8+,10+/m1/s1 | ||
| HET Code: TBE | PubChem: 7048533 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C10H11N4O5S- | Mol. Weight: 299.04556 | logP: -2.8579 |
| HBD: 0 | HBA: 8 | |
| #Rotatable Bonds: 3 | TPSA: 125.29 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Beta-Lactam Addition | SER 81 | A | 25.72 | - | Beta-Lactam |  |
Binding Affinity |
||
- |