Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM83268
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
3661±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:
BDBM83268
Synonyms:
2-[4-(dimethylamino)phenyl]-5-methoxy-1-benzothiophene-3-carboxylic acid methyl ester | 2-[4-(dimethylamino)phenyl]-5-methoxy-benzothiophene-3-carboxylic acid methyl ester | MLS002473546 | SMR001397714 | cid_44202204 | methyl 2-[4-(dimethylamino)phenyl]-5-methoxy-1-benzothiophene-3-carboxylate
Type:
Small organic molecule
Emp. Form.:
C19H19NO3S
Mol. Mass.:
341.424
SMILES:
COC(=O)c1c(sc2ccc(OC)cc12)-c1ccc(cc1)N(C)C
Structure:
Search PDB for entries with ligand similarity: