Ligand |
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| Ligand Name: 2,4‐dioxo‐1,3,2lambda5‐benzodioxaphosphinin‐2‐olate | ||
| Canonical SMILES: OP1(=O)OC(=O)c2ccccc2O1 | ||
| Standard InChI: InChI=1S/C7H5O5P/c8-7-5-3-1-2-4-6(5)11-13(9,10)12-7/h1-4H,(H,9,10) | ||
| HET Code: 2PB | PubChem: 9837075 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C7H5O5P | Mol. Weight: 199.98746 | logP: 1.3362 |
| HBD: 1 | HBA: 4 | |
| #Rotatable Bonds: 0 | TPSA: 72.83 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Ring Opening | SER 62 | A | 18.99 | - | 1-Hydroxy-2,6-Dioxa-3-Oxophosphorinone |  |
Binding Affinity |
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