Ligand |
||
 | ||
| Ligand Name: Sedoheptulose-7-Phosphate | ||
| Canonical SMILES: OCC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O | ||
| Standard InChI: InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1 | ||
| HET Code: I22 | PubChem: 165007 | |
| DrugBank: - | ChEMBL: CHEMBL1233492 | |
| Molecular Formula: C7H15O10P | Mol. Weight: 290.04028 | logP: -3.8993 |
| HBD: 7 | HBA: 8 | |
| #Rotatable Bonds: 8 | TPSA: 184.98 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Imine Condensation | LYS 135 | A | 11.65 | 7.0 | Ketone |  |
Binding Affinity |
||
- |