Ligand |
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| Ligand Name: diethyl-4-methylumbelliferyl phosphate | ||
| Canonical SMILES: CCOP(=O)(OCC)OCc(cc1)cc(c12)oc(=O)cc2C | ||
| Standard InChI: InChI=1S/C15H19O6P/c1-4-18-22(17,19-5-2)20-10-12-6-7-13-11(3)8-15(16)21-14(13)9-12/h6-9H,4-5,10H2,1-3H3 | ||
| HET Code: DPF | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C15H19O6P | Mol. Weight: 326.09192 | logP: 3.79912 |
| HBD: 0 | HBA: 6 | |
| #Rotatable Bonds: 7 | TPSA: 74.97 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 218 | A | 15.5 | - | Phosphate |  |
Binding Affinity |
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- |