Molecule Details
InChIKeyYNCYPMUJDDXIRH-UHFFFAOYSA-N
Compound NameBenzo(B)Thiophene-2-Boronic Acid
Canonical SMILESOB(O)c1cc2ccccc2s1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.85
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB04360
Drug NameBenzo[B]Thiophene-2-Boronic Acid
CAS Numbernan
Groups experimental
ATC Codes nan
Descriptionnan

Cross-references: BindingDB: 26139 CHEMBL34964 ChemSpider: 2269 PDB: BZB PubChem:2359 PubChem:46506748 ZINC: ZINC000169743221
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
O95372 LYPLA2 Homo sapiens Human PF02230 6.3 IC50 BindingDB
P62593 bla Escherichia coli Pathogen PF13354 7.6 Ki ChEMBL;BindingDB
P00811 ampC Escherichia coli (strain K12) Pathogen PF00144 6.7 IC50 ChEMBL;BindingDB
DrugBank Target Actions (2)
Target Gene Target Name Action Type
P00811 ampC Beta-lactamase binder targets
P00807 blaZ Beta-lactamase inhibitor targets