Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM54482
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
9482±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:
BDBM54482
Synonyms:
5-chloranyl-N-(4-fluorophenyl)-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide | 5-chloro-N-(4-fluorophenyl)-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carboxamide | 5-chloro-N-(4-fluorophenyl)-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxamide | 5-chloro-N-(4-fluorophenyl)-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide | MLS001116238 | SMR000625798 | cid_16446988
Type:
Small organic molecule
Emp. Form.:
C19H15ClFN3O3S
Mol. Mass.:
419.857
SMILES:
Cc1cccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(F)cc2)c1
Structure:
Search PDB for entries with ligand similarity: