Ligand |
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| Ligand Name: (2R)-2-(phosphonooxy)propanoic acid | ||
| Canonical SMILES: C[C@@H](OP(O)(O)=O)C(O)=O | ||
| Standard InChI: InChI=1S/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/t2-/m1/s1 | ||
| HET Code: 0V5 | PubChem: 444348 | |
| DrugBank: DB01733 | ChEMBL: CHEMBL1941138 | |
| Molecular Formula: C3H7O6P | Mol. Weight: 169.99803 | logP: -0.4312 |
| HBD: 3 | HBA: 3 | |
| #Rotatable Bonds: 3 | TPSA: 104.06 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | CYS 116 | B | 45.39 | 16.25 | Phosphate |  |
Binding Affinity |
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