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TargetBeta-lactamase TEM
LigandBDBM50191378
Substrate/Competitorn/a
Meas. Tech.ChEMBL_365442 (CHEMBL869109)
IC50 0.4±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 Chem49:4623-37 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-lactamase TEM
Name:Beta-lactamase TEM
Synonyms:BLAT_ECOLX | Bacterial beta-lactamase TEM | Beta-lactamase (TEM-1) | 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 | bla
Type:Enzyme
Mol. Mass.:31512.33
Organism:Escherichia coli
Description:P62593
Residue:286
Sequence:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRP
EERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVREL
CSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTM
PAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGS
RGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50191378
n/a
NameBDBM50191378
Synonyms:CHEMBL212163 | sodium (R,E)-6-((6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)methylene)-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate
TypeSmall organic molecule
Emp. Form.C13H10N3O4S
Mol. Mass.304.302
SMILES[O-]C(=O)C1=CS[C@H]2N1C(=O)\C2=C/c1cn2CCOCc2n1 |t:3|
Structure
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