Ligand |
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| Ligand Name: D-2-deoxyribose-5-phosphate | ||
| Canonical SMILES: O[C@H](COP(O)(O)=O)[C@@H](O)CC=O | ||
| Standard InChI: InChI=1S/C5H11O7P/c6-2-1-4(7)5(8)3-12-13(9,10)11/h2,4-5,7-8H,1,3H2,(H2,9,10,11)/t4-,5+/m0/s1 | ||
| HET Code: HPD | PubChem: 150629 | |
| DrugBank: - | ChEMBL: CHEMBL1232363 | |
| Molecular Formula: C5H11O7P | Mol. Weight: 214.02425 | logP: -1.5935 |
| HBD: 4 | HBA: 5 | |
| #Rotatable Bonds: 6 | TPSA: 124.29 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Hemiaminalization | LYS 167 | A | 9.45 | 6.86 | Aldehyde |  |
Binding Affinity |
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