Ligand |
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| Ligand Name: 2-(4-hydroxyphenyl)-N-(5-methylene-2-oxotetrahydrofuran-3-yl)acetamide | ||
| Canonical SMILES: Oc1ccc(cc1)CC(=O)N[C@H]2CC(=C)OC2=O | ||
| Standard InChI: InChI=1S/C13H13NO4/c1-8-6-11(13(17)18-8)14-12(16)7-9-2-4-10(15)5-3-9/h2-5,11,15H,1,6-7H2,(H,14,16)/t11-/m0/s1 | ||
| HET Code: ODZ | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C13H13NO4 | Mol. Weight: 247.08446 | logP: 0.8801 |
| HBD: 2 | HBA: 4 | |
| #Rotatable Bonds: 3 | TPSA: 75.63 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Lactone Addition | SER 294 | A | 20.52 | - | Gamma-Lactone |  |
Binding Affinity |
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