Ligand |
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| Ligand Name: TA6 | ||
| Canonical SMILES: CCCN[P@@](F)(=O)OCC | ||
| Standard InChI: InChI=1S/C5H13FNO2P/c1-3-5-7-10(6,8)9-4-2/h3-5H2,1-2H3,(H,7,8)/t10-/m0/s1 | ||
| HET Code: TC5 | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C5H13FNO2P | Mol. Weight: 169.06679 | logP: 2.1001 |
| HBD: 1 | HBA: 2 | |
| #Rotatable Bonds: 5 | TPSA: 38.33 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 198 | A | 10.79 | - | Phosphoramidohalogenate |  |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Kd : 660000 nM |