Ligand |
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| Ligand Name: TA5 | ||
| Canonical SMILES: CCN[P@@](F)(=O)OCC | ||
| Standard InChI: InChI=1S/C4H11FNO2P/c1-3-6-9(5,7)8-4-2/h3-4H2,1-2H3,(H,6,7)/t9-/m0/s1 | ||
| HET Code: TN7 | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C4H11FNO2P | Mol. Weight: 155.05115 | logP: 1.71 |
| HBD: 1 | HBA: 2 | |
| #Rotatable Bonds: 4 | TPSA: 38.33 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 198 | A | 10.52 | - | Phosphoramidohalogenate |  |
Binding Affinity |
|
| Database Name | Value |
| PDBBind | Kd : 630000 nM |