Ligand
Ligand Name:   [2-[(3-chlorophenyl)methoxy]phenyl]boronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB306 PubChem:   16217683
Synonym(s):  
  •   849062-32-4
  • 2-(3'-chlorobenzyloxy)phenylboronic acid
  • (2-((3-chlorobenzyl)oxy)phenyl)boronic acid
  • chembl4081848
  • {2-[(3-chlorophenyl)methoxy]phenyl}boronic acid
  • {2-[(3-chlorobenzyl)oxy]phenyl}boronic acid
  • 2-(3-chlorobenzyloxy)phenylboronic acid
  • schembl4296968
  • dtxsid90584485
  • anw-37915
  • bdbm50266950
  • mfcd06411351
  • akos009319448
  • zinc169877182
  • ab25244
  • as-65684
  • x2343
  • b-4264
show 17 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL4081848
Canonical SMILES:   OB(O)c1ccccc1OCc2cccc(Cl)c2
Standard InChI:   InChI=1S/C13H12BClO3/c15-11-5-3-4-10(8-11)9-18-13-7-2-1-6-12(13)14(16)17/h1-8,16-17H,9H2
Molecular Formula:   C13H12BClO3 Mol. Weight:   262.0568 logP:   1.5988
HBD:   2 HBA:   3
#Rotatable Bonds:   4 TPSA:   49.69

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 Q9R1E6 (ENPP2_MOUSE) Mus musculus (Mouse) 5INH 6C1 IC50 : 1000 nM PDBBind SHOW