Ligand
Ligand Name:   4-(carboxyvin-2-yl)phenylboronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB658 PubChem:   5288001
Synonym(s):  
  •   159896-15-8
  • (e)-3-(4-boronophenyl)acrylic acid
  • 4-(2-carboxyvinyl)phenylboronic acid
  • 3-(4-boronophenyl)acrylic acid
  • 4-(2-carboxyvinyl)benzeneboronic acid
  • 151169-68-5
  • chembl139928
  • 4-phenylpropylester boronic acid
  • 4-(e-2-carboxyvinyl)phenylboronic acid
  • mfcd01075704
  • 4-(e-2-carboxyvinyl)benzeneboronic acid
  • (2e)-3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid
  • 4-(trans-2-carboxyvinyl)phenylboronic acid
  • 4-boronocinnamic acid
  • (e)-3-(4-boronophenyl)prop-2-enoic acid
  • 2-propenoic acid, 3-(4-boronophenyl)-, (2e)-
  • 4-(2-carboxyvinyl)phenylboronicacid
  • amy33058
  • 4-(2-carboxyvinyl)benzeneboronicacid
  • bdbm50067886
  • akos004116400
  • zinc169745114
  • ab08168
  • db02503
  • vb10643
  • as-55248
  • n870
  • [4-(e-2-carboxyvinyl)phenyl]boronic acid
  • (2e)-3-(4-boronophenyl)prop-2-enoic aci
  • 4-[(e)-2-carboxyvinyl]benzeneboronic acid
  • 4-(trans-2-carboxyvinyl) phenylboronic acid
  • cs-0060215
  • b-3787
  • q27093489
show 33 synonym(s)
DrugBank:   DB02503 ChEMBL:   CHEMBL139928
Canonical SMILES:   OB(O)c1ccc(\C=C\C(O)=O)cc1
Standard InChI:   InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+
Molecular Formula:   C9H9BO4 Mol. Weight:   192.05939 logP:   -0.5358
HBD:   3 HBA:   3
#Rotatable Bonds:   3 TPSA:   77.76

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 1KE0 CVB Ki : 4200 nM PDBBind SHOW
Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 1KE0 CVB Ki : 4200 nM BindingDB SHOW