Ligand
Ligand Name:   (1R)-1-Acetamido-2-(3-carboxy-2-hydroxyphenyl)ethylboronic acid
Ligand Type:   L-peptide linking
Ligand ID:   COVPDB565 PubChem:   5287794
Synonym(s):  
  •   1(r)-1-acetamido-2-(3-carboxy-2-hydroxyphenyl)ethyl boronic acid
  • db07464
  • q27096684
  • 3-[(2r)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]-2-hydroxybenzoic acid
show 3 synonym(s)
DrugBank:   DB07464 ChEMBL:   CHEMBL1231366
Canonical SMILES:   CC(=O)N[C@@H](Cc1cccc(C(O)=O)c1O)B(O)O
Standard InChI:   InChI=1S/C11H14BNO6/c1-6(14)13-9(12(18)19)5-7-3-2-4-8(10(7)15)11(16)17/h2-4,9,15,18-19H,5H2,1H3,(H,13,14)(H,16,17)/t9-/m0/s1
Molecular Formula:   C11H14BNO6 Mol. Weight:   267.09143 logP:   -0.8504
HBD:   5 HBA:   5
#Rotatable Bonds:   5 TPSA:   127.09

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase TEM P62593 (BLAT_ECOLX) Escherichia coli 1ERQ BJH Ki : 13 nM PDBBind SHOW