Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM58598
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
10667±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:
BDBM58598
Synonyms:
4-[[5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carbonyl]amino]benzoic acid methyl ester | 4-[[[5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester | MLS001116149 | SMR000625799 | cid_16452489 | methyl 4-[[5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidin-4-yl]carbonylamino]benzoate | methyl 4-[[5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carbonyl]amino]benzoate
Type:
Small organic molecule
Emp. Form.:
C21H18ClN3O5S
Mol. Mass.:
459.903
SMILES:
COC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
Structure:
Search PDB for entries with ligand similarity: