Ligand |
||
 | ||
| Ligand Name: SULBACTAM | ||
| Canonical SMILES: CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O | ||
| Standard InChI: InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | ||
| HET Code: TSL | PubChem: 130313 | |
| DrugBank: DB09324 | ChEMBL: CHEMBL403 | |
| Molecular Formula: C8H11NO5S | Mol. Weight: 233.0358 | logP: -0.795 |
| HBD: 1 | HBA: 4 | |
| #Rotatable Bonds: 1 | TPSA: 91.75 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Beta-Lactam Addition | SER 70 | A | 9.43 | - | Beta-Lactam |  |
Binding Affinity |
||
- |