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Target
Beta-lactamase
Ligand
BDBM41590
Substrate
n/a
Meas. Tech.
Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA)
IC50
3667±n/a nM
Citation
 PubChem, PC Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA) PubChem Bioassay (2011)[AID] 
Target
Name:
Beta-lactamase
Synonyms:
Beta lactamase
Type:
Enzyme Catalytic Domain
Mol. Mass.:
31513.38
Organism:
Pseudomonas aeruginosa
Description:
gi_114881106
Residue:
286
Sequence:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDKLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
  
Inhibitor
Name:
BDBM41590
Synonyms:
6-methoxy-2-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]sulfanyl-1-benzothiophene 1-oxide | 6-methoxy-2-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]thio]-1-benzothiophene 1-oxide | 6-methoxy-2-(4-methoxyphenyl)-3-[[3-(trifluoromethyl)phenyl]thio]benzothiophene 1-oxide | 6-methoxy-2-(4-methoxyphenyl)-3-{[3-(trifluoromethyl)phenyl]sulfanyl}-1H-1-benzothiophen-1-one | MLS000540587 | SMR000125845 | cid_5863319
Type:
Small organic molecule
Emp. Form.:
C23H17F3O3S2
Mol. Mass.:
462.504
SMILES:
COc1ccc(cc1)-c1c(Sc2cccc(c2)C(F)(F)F)c2ccc(OC)cc2s1=O
Structure:
Search PDB for entries with ligand similarity: