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Reaction Details
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TargetBeta-lactamase
LigandBDBM83265
Substrate/Competitorn/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 3211±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]
More Info.:Get all data from this article,  Assay Method
 
Beta-lactamase
Name:Beta-lactamase
Synonyms:Beta lactamase
Type:Enzyme Catalytic Domain
Mol. Mass.:31513.38
Organism:Pseudomonas aeruginosa
Description:gi_114881106
Residue:286
Sequence:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDKLGARVGYIELDLNSGKILESFRP
EERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVREL
CSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTM
PAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGS
RGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
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  Blast E-value cutoff:
BDBM83265
n/a
NameBDBM83265
Synonyms:6-(4-benzylpiperidin-1-yl)-N-[(3-fluorophenyl)methyl]-9,10,10-trioxothioxanthene-1-carboxamide | 6-(4-benzylpiperidino)-N-(3-fluorobenzyl)-9,10,10-triketo-thioxanthene-1-carboxamide | MLS002472294 | N-[(3-fluorophenyl)methyl]-9,10,10-trioxo-6-[4-(phenylmethyl)-1-piperidinyl]-1-thioxanthenecarboxamide | N-[(3-fluorophenyl)methyl]-9,10,10-tris(oxidanylidene)-6-[4-(phenylmethyl)piperidin-1-yl]thioxanthene-1-carboxamide | SMR001395445 | cid_44144211
TypeSmall organic molecule
Emp. Form.C33H29FN2O4S
Mol. Mass.568.658
SMILESFc1cccc(CNC(=O)c2cccc3c2C(=O)c2ccc(cc2S3(=O)=O)N2CCC(Cc3ccccc3)CC2)c1
Structure
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