Ligand |
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| Ligand Name: Arabinose-5-Phosphate | ||
| Canonical SMILES: O[C@@H](COP(O)(O)=O)[C@@H](O)[C@H](O)C=O | ||
| Standard InChI: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5+/m1/s1 | ||
| HET Code: A5P | PubChem: 44588263 | |
| DrugBank: - | ChEMBL: CHEMBL1162525 | |
| Molecular Formula: C5H11O8P | Mol. Weight: 230.01915 | logP: -2.6227 |
| HBD: 5 | HBA: 6 | |
| #Rotatable Bonds: 6 | TPSA: 144.52 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Imine Condensation | LYS 135 | A | 11.94 | 8.18 | Ketone |  |
Binding Affinity |
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