Ligand |
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| Ligand Name: (S)-(methyl 4-nitrophenyl [(R)-methoxy(phenyl)methyl]phosphonate) | ||
| Canonical SMILES: c1ccccc1[C@H](OC)[P@](=O)(OC)Oc2ccc([N+]([O-])=O)cc2 | ||
| Standard InChI: InChI=1S/C15H16NO6P/c1-20-15(12-6-4-3-5-7-12)23(19,21-2)22-14-10-8-13(9-11-14)16(17)18/h3-11,15H,1-2H3/t15-,23+/m1/s1 | ||
| HET Code: IAN | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C15H16NO6P | Mol. Weight: 337.07153 | logP: 4.1583 |
| HBD: 0 | HBA: 6 | |
| #Rotatable Bonds: 7 | TPSA: 87.9 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 209 | A | 13.61 | - | Phosphonate |  |
Binding Affinity |
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- |