Ligand |
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| Ligand Name: R-Glycidol phosphate | ||
| Canonical SMILES: OP(O)(=O)OC[C@H]1CO1 | ||
| Standard InChI: InChI=1S/C3H7O5P/c4-9(5,6)8-2-3-1-7-3/h3H,1-2H2,(H2,4,5,6)/t3-/m1/s1 | ||
| HET Code: G3P | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C3H7O5P | Mol. Weight: 154.00311 | logP: -0.5055 |
| HBD: 2 | HBA: 3 | |
| #Rotatable Bonds: 3 | TPSA: 79.29 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Epoxide Opening | GLU 1167 | A | 10.18 | 8.96 | Epoxide |  |
Binding Affinity |
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- |