Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM43524
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
27351±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:
BDBM43524
Synonyms:
4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine | 4-(4-fluorophenyl)-2-mesyl-6-(trifluoromethyl)pyrimidine | 4-(4-fluorophenyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine | MLS000675919 | SMR000297077 | US11725000, Compound 45 | cid_2987363
Type:
Small organic molecule
Emp. Form.:
C12H8F4N2O2S
Mol. Mass.:
320.263
SMILES:
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: