Ligand |
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| Ligand Name: D‐tagatose 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: 44S | PubChem: 5459952 | |
| DrugBank: DB04277 | ChEMBL: - | |
| 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 132 | A | 9.53 | 7.79 | Ketone |  |
Binding Affinity |
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- |