Ligand |
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| Ligand Name: tert-butyl (3-methyl-5-methylene-2-oxotetrahydrofuran-3-yl)carbamate | ||
| Canonical SMILES: CC(C)(C)OC(=O)N[C@@]1(C)CC(=C)OC1=O | ||
| Standard InChI: InChI=1S/C11H17NO4/c1-7-6-11(5,8(13)15-7)12-9(14)16-10(2,3)4/h1,6H2,2-5H3,(H,12,14)/t11-/m0/s1 | ||
| HET Code: OEE | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C11H17NO4 | Mol. Weight: 227.11575 | logP: 1.7304 |
| HBD: 1 | HBA: 4 | |
| #Rotatable Bonds: 1 | TPSA: 64.63 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Lactone Addition | SER 294 | A | 16.22 | - | Gamma-Lactone |  |
Binding Affinity |
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- |