Ligand |
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| Ligand Name: Z-(4-AmPhGly)P(OPh)2 | ||
| Canonical SMILES: NC(=N)c1ccc(cc1)[C@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 | ||
| Standard InChI: InChI=1S/C28H26N3O5P/c29-26(30)22-16-18-23(19-17-22)27(31-28(32)34-20-21-10-4-1-5-11-21)37(33,35-24-12-6-2-7-13-24)36-25-14-8-3-9-15-25/h1-19,27H,20H2,(H3,29,30)(H,31,32)/t27-/m1/s1 | ||
| HET Code: ZAP | PubChem: 101695666 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C28H26N3O5P | Mol. Weight: 515.161 | logP: 6.24677 |
| HBD: 3 | HBA: 6 | |
| #Rotatable Bonds: 10 | TPSA: 123.73 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 195 | A | 18.03 | - | Phosphonate |  |
Binding Affinity |
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