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TargetBeta-lactamase (TEM-1)
LigandBDBM50191377
Substrate/Competitorn/a
Meas. Tech.ChEMBL_365442
IC50 1±n/a nM
Citation Venkatesan AMAgarwal AAbe TUshirogochi HYamamura IAdo MTsuyoshi TDos Santos OGu YSum FWLi ZFrancisco GLin YIPetersen PJYang YKumagai TWeiss WJShlaes DMKnox JRMansour TS Structure-activity relationship of 6-methylidene penems bearing 6,5 bicyclic heterocycles as broad-spectrum beta-lactamase inhibitors: evidence for 1,4-thiazepine intermediates with C7 R stereochemistry by computational methods. J Med Chem 49:4623-37 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-lactamase (TEM-1)
Name:Bacterial beta-lactamase TEM
Synonyms:Bacterial beta-lactamase TEM | Beta-lactamase TEM | Beta-lactamase TEM-1 | Beta-lactamase TEM-1b | Beta-lactamase TEM1D | Beta-lactamase TEM1E | Beta-lactamase TEM1F | TEM beta lactamase | TEM extended-spectrum beta-lactamase | TEM-1 beta-lactamase
Type:Enzyme
Mol. Mass.:31512.33
Organism:Escherichia coli
Description:P62593
Residue:286
Sequence:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRP
EERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVREL
CSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTM
PAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGS
RGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
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  Blast E-value cutoff:
BDBM50191377
n/a
NameBDBM50191377
Synonyms:(5R),(6Z)-7-oxo-6-(4,5,6,7-tetrahydropyrazolo[1,5-a]-pyrazin-2-ylmethylene)-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt | CHEMBL379856
TypeSmall organic molecule
Emp. Form.C13H11N4O3S
Mol. Mass.303.317
SMILES[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CNCCn2n1 |t:3|
Structure
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