Ligand |
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| Ligand Name: QPX7728 | ||
| Canonical SMILES: OB1Oc2c(ccc(F)c2C(O)=O)[C@H]2C[C@@H]12 | ||
| Standard InChI: InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1 | ||
| HET Code: RM9 | PubChem: 140830474 | |
| DrugBank: - | ChEMBL: - | |
| Molecular Formula: C10H8BFO4 | Mol. Weight: 222.04997 | logP: 1.2543 |
| HBD: 2 | HBA: 3 | |
| #Rotatable Bonds: 1 | TPSA: 66.76 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Borylation | SER 70 | A | 13.38 | - | Boronic Acid |  |
Binding Affinity |
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