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TargetBeta-lactamase (TEM-1)
LigandBDBM50149467
Substrate/Competitorn/a
Meas. Tech.ChEMBL_430085
IC50 1±n/a nM
Citation Venkatesan AMGu YDos Santos OAbe TAgarwal AYang YPetersen PJWeiss WJMansour TSNukaga MHujer AMBonomo RAKnox JR Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates. J Med Chem 47:6556-68 (2004) [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:
BDBM50149467
n/a
NameBDBM50149467
Synonyms:(5R,6Z)-6-(6,7-dihydro-5H-cyclopenta-[d]imidazo[2,1-b][1,3]thiazol-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium | CHEMBL122450 | Sodium; (R)-6-[1-(6,7-dihydro-5H-cyclopenta[d]imidazo[2,1-b]thiazol-2-yl)-meth-(Z)-ylidene]-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate | sodium (R)-6-[1-(6,7-dihydro-5H-cyclopenta[d]imidazo[2,1-b]thiazol-2-yl)-meth-(Z)-ylidene]-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate
TypeSmall organic molecule
Emp. Form.C15H10N3O3S2
Mol. Mass.344.389
SMILES[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1 |t:3|
Structure
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