Ligand |
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| Ligand Name: {[(2R)-2-hydroxy-4,5-dioxoheptyl]oxy}phosphonic acid | ||
| Canonical SMILES: CCC(=O)C(=O)C[C@@H](O)COP(O)(O)=O | ||
| Standard InChI: InChI=1S/C7H13O7P/c1-2-6(9)7(10)3-5(8)4-14-15(11,12)13/h5,8H,2-4H2,1H3,(H2,11,12,13)/t5-/m1/s1 | ||
| HET Code: LI5 | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C7H13O7P | Mol. Weight: 240.03989 | logP: -0.6051 |
| HBD: 3 | HBA: 5 | |
| #Rotatable Bonds: 7 | TPSA: 121.13 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 110 | A | 9.09 | - | Phosphate |  |
Binding Affinity |
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- |