Ligand |
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| Ligand Name: ribose-5-phosphate | ||
| Canonical SMILES: O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O | ||
| Standard InChI: InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1 | ||
| HET Code: N | PubChem: 440101 | |
| DrugBank: - | ChEMBL: CHEMBL605020 | |
| Molecular Formula: C5H11O8P | Mol. Weight: 230.01915 | logP: -2.4653 |
| HBD: 5 | HBA: 6 | |
| #Rotatable Bonds: 3 | TPSA: 136.68 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Composite Reaction | GLU 179 | G | 13.32 | 12.21 | Hemiacetal |  |
Binding Affinity |
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