Ligand
Ligand Name:   4,4'-BIPHENYLDIBORONIC ACID
Ligand Type:   non-polymer
Ligand ID:   COVPDB550 PubChem:   2734608
Synonym(s):  
  •   4151-80-8
  • [1,1'-biphenyl]-4,4'-diyldiboronic acid
  • [4-(4-boronophenyl)phenyl]boronic acid
  • biphenyl-4,4'-diyldiboronic acid", "4,4'-biphenyldiyldiboronic acid
  • mfcd00151795
  • unii-os4m710qcg
  • os4m710qcg
  • chembl109227
  • (4-(4-boronophenyl)phenyl)boronic acid
  • (1,1'-biphenyl)-4,4'-diyldiboronic acid
  • pubchem5324
  • acmc-1apw8
  • 4,4'-biphenyldiboric acid", "4,4'-biphenyldiboronicacid
  • yswg218
  • schembl806835
  • 4,4''-biphenyldiboronic acid", "4,4'-diphenylenebisboronic acid
  • dtxsid40370390
  • c12h12b2o4
  • biphenyl-4,4''-diyldiboronic acid", "4,4''-bis-dihydroxyboranyl-biphenyl
  • anw-29638
  • bbl100483
  • bdbm50067910
  • stl554277
  • akos005254429
  • biphenyl-4,4'-diboronic acid
  • zinc169747015
  • ab03983
  • cs-w000928
  • db02627
  • gs-5812
  • ak-84237
  • sy037884
  • biphenyl-4,4'-diylbisboronic acid
  • am20040438
  • b2490
  • ft-0617001
  • x0797
  • b-2364
  • 151b808
  • sr-01000883705
  • {4-[4-(dihydroxyboranyl)phenyl]phenyl}boronic acid
  • sr-01000883705-1
  • 4,4 inverted exclamation mark -biphenyldiboronic acid
  • boronic acid, b,b'-[1,1'-biphenyl]-4,4'-diylbis-
  • q17321243
  • [4'-(dihydroxyboranyl)-[1,1'-biphenyl]-4-yl]boronic acid
  • 415108-00-8
show 46 synonym(s)
DrugBank:   DB02627 ChEMBL:   CHEMBL109227
Canonical SMILES:   OB(O)c1ccc(cc1)-c2ccc(cc2)B(O)O
Standard InChI:   InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
Molecular Formula:   C12H12B2O4 Mol. Weight:   242.09216 logP:   -1.2868
HBD:   4 HBA:   4
#Rotatable Bonds:   3 TPSA:   80.92

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) 1KE3 BDB Ki : 200 nM PDBBind SHOW
Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 1KE3 BDB Ki : 200 nM BindingDB SHOW