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Target
Beta-lactamase
Ligand
BDBM83267
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
2919±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:
BDBM83267
Synonyms:
6-(4-benzylpiperidin-1-yl)-9,10,10-trioxo-N-[[3-(trifluoromethyl)phenyl]methyl]thioxanthene-1-carboxamide | 6-(4-benzylpiperidino)-9,10,10-triketo-N-[3-(trifluoromethyl)benzyl]thioxanthene-1-carboxamide | 9,10,10-trioxo-6-[4-(phenylmethyl)-1-piperidinyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1-thioxanthenecarboxamide | 9,10,10-tris(oxidanylidene)-6-[4-(phenylmethyl)piperidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]thioxanthene-1-carboxamide | MLS002472305 | SMR001395456 | cid_44144222
Type:
Small organic molecule
Emp. Form.:
C34H29F3N2O4S
Mol. Mass.:
618.665
SMILES:
FC(F)(F)c1cccc(CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)N2CCC(Cc3ccccc3)CC2)c1
Structure:
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