Ligand |
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| Ligand Name: arabinose | ||
| Canonical SMILES: OC[C@H]1[C@H](O)[C@@H](O)[C@@H](O1)O | ||
| Standard InChI: InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1 | ||
| HET Code: AHR | PubChem: 445935 | |
| DrugBank: DB03142 | ChEMBL: CHEMBL1230895 | |
| Molecular Formula: C5H10O5 | Mol. Weight: 150.05283 | logP: -2.5823 |
| HBD: 4 | HBA: 5 | |
| #Rotatable Bonds: 1 | TPSA: 90.15 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Acyl Substitution | GLU 294 | A | 21.77 | 5.12 | Hemiacetal |  |
Binding Affinity |
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