Ligand |
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| Ligand Name: naphthalen-2-ylboronic acid | ||
| Canonical SMILES: OB(O)c(c1)ccc(c12)cccc2 | ||
| Standard InChI: InChI=1S/C10H9BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,12-13H | ||
| HET Code: 7N7 | PubChem: 2734375 | |
| DrugBank: - | ChEMBL: CHEMBL141079 | |
| Molecular Formula: C10H9BO2 | Mol. Weight: 172.06956 | logP: 0.5196 |
| HBD: 2 | HBA: 2 | |
| #Rotatable Bonds: 1 | TPSA: 40.46 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Borylation | SER 218 | A | 15.82 | - | Boronic Acid |  |
Binding Affinity |
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