Ligand |
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| Ligand Name: D-glucuronic acid | ||
| Canonical SMILES: O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O | ||
| Standard InChI: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1 | ||
| HET Code: BDP | PubChem: 441478 | |
| DrugBank: DB03156 | ChEMBL: CHEMBL1159524 | |
| Molecular Formula: C6H10O7 | Mol. Weight: 194.04265 | logP: -3.1291 |
| HBD: 5 | HBA: 6 | |
| #Rotatable Bonds: 1 | TPSA: 127.45 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Acyl Substitution | SER 267 | A | 36.37 | - | Carboxylic Acid |  |
Binding Affinity |
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