Ligand |
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| Ligand Name: [(1S)-1-[(2-benzylphenyl)formamido]ethyl]boronic acid | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB731 | PubChem: 53324014 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL1672820 | |
| Canonical SMILES: OB(O)[C@@H](C)NC(=O)c1ccccc1Cc2ccccc2 | ||
| Standard InChI: InChI=1S/C16H18BNO3/c1-12(17(20)21)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-21H,11H2,1H3,(H,18,19)/t12-/m1/s1 | ||
| Molecular Formula: C16H18BNO3 | Mol. Weight: 283.13797 | logP: 1.4077 |
| HBD: 3 | HBA: 3 | |
| #Rotatable Bonds: 5 | TPSA: 69.56 | |