Ligand |
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| Ligand Name: Glucose (linear form) | ||
| Canonical SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](C=O)O | ||
| Standard InChI: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1 | ||
| HET Code: GLO | PubChem: 107526 | |
| DrugBank: DB01914 | ChEMBL: CHEMBL448805 | |
| Molecular Formula: C6H12O6 | Mol. Weight: 180.06339 | logP: -3.3788 |
| HBD: 5 | HBA: 6 | |
| #Rotatable Bonds: 5 | TPSA: 118.22 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Imine Condensation | LYS 195 | A | 121.71 | 5.21 | Aldehyde |  |
Binding Affinity |
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