Ligand |
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| Ligand Name: monobactam L62 | ||
| Canonical SMILES: C1CCCC1OC(=O)N2[C@H](CC2=O)c3ccccc3 | ||
| Standard InChI: InChI=1S/C15H17NO3/c17-14-10-13(11-6-2-1-3-7-11)16(14)15(18)19-12-8-4-5-9-12/h1-3,6-7,12-13H,4-5,8-10H2/t13-/m1/s1 | ||
| HET Code: L62 | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C15H17NO3 | Mol. Weight: 259.12085 | logP: 3.0392 |
| HBD: 0 | HBA: 3 | |
| #Rotatable Bonds: 2 | TPSA: 46.61 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Beta-Lactam Addition | SER 201 | A | 11.33 | - | Beta-Lactam |  |
Binding Affinity |
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| Database Name | Value |
| PDBBind | IC50 : 5267 nM |