Ligand |
||
 | ||
| Ligand Name: H-Bz-DPP | ||
| Canonical SMILES: N[C@H](c1ccc(cc1)C(N)=N)P(=O)(Oc1ccccc1)Oc1ccccc1 | ||
| Standard InChI: InChI=1S/C20H20N3O3P/c21-19(22)15-11-13-16(14-12-15)20(23)27(24,25-17-7-3-1-4-8-17)26-18-9-5-2-6-10-18/h1-14,20H,23H2,(H3,21,22)/t20-/m0/s1 | ||
| HET Code: CCZ | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C20H20N3O3P | Mol. Weight: 381.12424 | logP: 4.27907 |
| HBD: 3 | HBA: 5 | |
| #Rotatable Bonds: 7 | TPSA: 111.42 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 208 | A | 12.58 | - | Phosphonate |  |
Binding Affinity |
||
- |