Ligand |
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| Ligand Name: TA1 | ||
| Canonical SMILES: CCO[P@@](=O)(C#N)N(CC)CC | ||
| Standard InChI: InChI=1S/C7H15N2O2P/c1-4-9(5-2)12(10,7-8)11-6-3/h4-6H2,1-3H3/t12-/m0/s1 | ||
| HET Code: TUN | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C7H15N2O2P | Mol. Weight: 190.08711 | logP: 2.03888 |
| HBD: 0 | HBA: 3 | |
| #Rotatable Bonds: 5 | TPSA: 53.33 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Phosphorylation | SER 198 | A | 14.43 | - | Phosphoramidocyanidate |  |
Binding Affinity |
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