Ligand |
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| Ligand Name: p-nitrophenyl [N-(benzyloxycarbonyl)aminomethyl]phosphonate | ||
| Canonical SMILES: OP(=O)(CNC(=O)OCc1ccccc1)Oc1ccc(cc1)[N+]([O-])=O | ||
| Standard InChI: InChI=1S/C15H15N2O7P/c18-15(23-10-12-4-2-1-3-5-12)16-11-25(21,22)24-14-8-6-13(7-9-14)17(19)20/h1-9H,10-11H2,(H,16,18)(H,21,22) | ||
| HET Code: FOS | PubChem: 54375278 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C15H15N2O7P | Mol. Weight: 366.06168 | logP: 3.0429 |
| HBD: 2 | HBA: 6 | |
| #Rotatable Bonds: 7 | TPSA: 128.0 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 70 | A | 10.78 | - | Phosphonate |  |
Binding Affinity |
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