Ligand |
||
 | ||
| Ligand Name: alpha-D-Mannose | ||
| Canonical SMILES: OC[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O1)O | ||
| Standard InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1 | ||
| HET Code: MAN | PubChem: 185698 | |
| DrugBank: - | ChEMBL: CHEMBL365590 | |
| Molecular Formula: C6H12O6 | Mol. Weight: 180.06339 | logP: -3.2214 |
| HBD: 5 | HBA: 6 | |
| #Rotatable Bonds: 1 | TPSA: 110.38 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Acyl Substitution | GLU 373 | A | 12.73 | 5.73 | Hemiacetal |  |
Binding Affinity |
||
- |