Ligand |
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| Ligand Name: ETX1317 | ||
| Canonical SMILES: CC1=C[C@H](N2C[C@H]1N(O[C@H](F)C(O)=O)C2=O)C(N)=O | ||
| Standard InChI: InChI=1S/C10H12FN3O5/c1-4-2-5(8(12)15)13-3-6(4)14(10(13)18)19-7(11)9(16)17/h2,5-7H,3H2,1H3,(H2,12,15)(H,16,17)/t5-,6+,7-/m0/s1 | ||
| HET Code: X57 | PubChem: - | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C10H12FN3O5 | Mol. Weight: 273.0761 | logP: -0.7818 |
| HBD: 2 | HBA: 4 | |
| #Rotatable Bonds: 4 | TPSA: 113.17 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Imidazolidinone Opening | SER 70 | A | 13.33 | - | Imidazolidinone |  |
Binding Affinity |
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