Ligand
Ligand Name:   (1R)-1-Phenylacetamido-2-(3-carboxyphenyl)ethylboronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB566 PubChem:   5287795
Synonym(s):  
  •   1(r)-1-acetamido-2-(3-carboxyphenyl)ethyl boronic acid
  • chembl1231367
  • schembl4270380
  • bdbm50526862
  • db02614
  • q27093581
  • 3-[(2r)-2-(acetylamino)-2-(dihydroxyboranyl)ethyl]benzoic acid
show 6 synonym(s)
DrugBank:   DB02614 ChEMBL:   CHEMBL1231367
Canonical SMILES:   CC(=O)N[C@@H](Cc1cccc(c1)C(O)=O)B(O)O
Standard InChI:   InChI=1S/C11H14BNO5/c1-7(14)13-10(12(17)18)6-8-3-2-4-9(5-8)11(15)16/h2-5,10,17-18H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1
Molecular Formula:   C11H14BNO5 Mol. Weight:   251.0965 logP:   -0.556
HBD:   4 HBA:   4
#Rotatable Bonds:   5 TPSA:   106.86

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 1ERM BJI
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