Ligand |
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| Ligand Name: Fructose 6-Phosphate | ||
| Canonical SMILES: OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O | ||
| Standard InChI: InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1 | ||
| HET Code: F6R | PubChem: 69507 | |
| DrugBank: DB04493 | ChEMBL: CHEMBL1232642 | |
| Molecular Formula: C6H13O9P | Mol. Weight: 260.02972 | logP: -3.2602 |
| HBD: 6 | HBA: 7 | |
| #Rotatable Bonds: 7 | TPSA: 164.75 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Imine Condensation | LYS 135 | A | 9.79 | 7.3 | Ketone |  |
Binding Affinity |
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