Ligand |
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| Ligand Name: gylceraldehyde-3-phosphate | ||
| Canonical SMILES: O[C@H](COP(O)(O)=O)C=O | ||
| Standard InChI: InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1 | ||
| HET Code: G3H | PubChem: 439168 | |
| DrugBank: DB02263 | ChEMBL: CHEMBL1232918 | |
| Molecular Formula: C3H7O6P | Mol. Weight: 169.99803 | logP: -1.3445 |
| HBD: 3 | HBA: 4 | |
| #Rotatable Bonds: 4 | TPSA: 104.06 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Hemi(thio)acetalization | CYS 149 | R | 27.07 | 13.24 | Aldehyde |  |
Binding Affinity |
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