Ligand |
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| Ligand Name: WAY185229 | ||
| Canonical SMILES: OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1 | ||
| Standard InChI: InChI=1S/C15H11N3O3S2/c19-12-8(13-18(12)10(6-22-13)14(20)21)4-7-5-17-9-2-1-3-11(9)23-15(17)16-7/h4-6,13H,1-3H2,(H,20,21)/b8-4-/t13-/m1/s1 | ||
| HET Code: WY2 | PubChem: 9841116 | |
| DrugBank: - | ChEMBL: CHEMBL1205614 | |
| Molecular Formula: C15H11N3O3S2 | Mol. Weight: 345.02417 | logP: 2.109 |
| HBD: 1 | HBA: 6 | |
| #Rotatable Bonds: 2 | TPSA: 74.91 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Beta-Lactam Addition | SER 64 | A | 20.14 | - | Beta-Lactam |  |
Binding Affinity |
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