Reaction Details Report a problem with these data
Target
Beta-lactamase SHV-1
Ligand
BDBM178215
Substrate
n/a
Meas. Tech.
Cell Free Inhibition Assay
pH
7±n/a
Temperature
310.15±n/a K
IC50
0.6±n/a nM
Comments
extracted
Citation
 Bulusu, AR Substituted clavulanic acid US Patent  US9120808 Publication Date 9/1/2015 
Target
Name:
Beta-lactamase SHV-1
Synonyms:
BLA1_ECOLX | Beta-lactamase (SHV-1) | bla | shv1
Type:
Enzyme
Mol. Mass.:
31226.68
Organism:
Escherichia coli
Description:
P0AD63
Residue:
286
Sequence:
MRYIRLCIISLLATLPLAVHASPQPLEQIKLSESQLSGRVGMIEMDLASGRTLTAWRADERFPMMSTFKVVLCGAVLARVDAGDEQLERKIHYRQQDLVDYSPVSEKHLADGMTVGELCAAAITMSDNSAANLLLATVGGPAGLTAFLRQIGDNVTRLDRWETELNEALPGDARDTTTPASMAATLRKLLTSQRLSARSQRQLLQWMVDDRVAGPLIRSVLPAGWFIADKTGAGERGARGIVALLGPNNKAERIVVIYLRDTPASMAERNQQIAGIGAALIEHWQR
  
Inhibitor
Name:
BDBM178215
Synonyms:
US9120808, Example 58
Type:
Small organic molecule
Emp. Form.:
C34H32N2O8
Mol. Mass.:
596.6265
SMILES:
OC(=O)C(CC=CCN(Cc1ccccc1)C(=O)OCc1ccccc1)=C1O[C@@H]2CC(=O)N2C1C(=O)OCc1ccccc1 |w:26.36,5.4|
Structure:
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