Reaction Details Report a problem with these data
Target
Beta-lactamase TEM
Ligand
BDBM178191
Substrate
n/a
Meas. Tech.
Cell Free Inhibition Assay
pH
7±n/a
Temperature
310.15±n/a K
IC50
139.9±n/a nM
Comments
extracted
Citation
 Bulusu, AR Substituted clavulanic acid US Patent  US9120808 Publication Date 9/1/2015 
Target
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:
MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVEYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDRWEPELNEAIPNDERDTTMPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGAGERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW
  
Inhibitor
Name:
BDBM178191
Synonyms:
US9120808, Example 10
Type:
Small organic molecule
Emp. Form.:
C21H21NO7
Mol. Mass.:
399.3939
SMILES:
CC(=O)OCC=CCC(C=O)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:11.19,6.6|
Structure:
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