Ligand |
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| Ligand Name: 1-hydroxy-2,6-dioxa-3-oxo-4-phenylphosphorinone | ||
| Canonical SMILES: OP1(=O)OC=C(C(=O)O1)c1ccccc1 | ||
| Standard InChI: InChI=1S/C9H7O5P/c10-9-8(6-13-15(11,12)14-9)7-4-2-1-3-5-7/h1-6H,(H,11,12) | ||
| HET Code: CP5 | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C9H7O5P | Mol. Weight: 226.00311 | logP: 1.7013 |
| HBD: 1 | HBA: 4 | |
| #Rotatable Bonds: 1 | TPSA: 72.83 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Ring Opening | SER 62 | A | 18.82 | - | 1-Hydroxy-2,6-Dioxa-3-Oxophosphorinone |  |
Binding Affinity |
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