Reaction Details Report a problem with these data
Target
Beta-lactamase SHV-1
Ligand
BDBM50021954
Substrate
n/a
Meas. Tech.
Steady-State Kinetics Assay
pH
7.4±n/a
Ki
1.5e+3± 3e+2 nM
IC50
3.4e+3± 5e+2 nM
Comments
extracted
Citation
 Che, T; Rodkey, EA; Bethel, CR; Shanmugam, S; Ding, Z; Pusztai-Carey, M; Nottingham, M; Chai, W; Buynak, JD; Bonomo, RA; van den Akker, F; Carey, PR Detecting a quasi-stable imine species on the reaction pathway of SHV-1 ß-lactamase and 6ß-(hydroxymethyl)penicillanic acid sulfone. Biochemistry 54:734-43 (2015) [PubMed]  Article 
Target
Name:
Beta-lactamase SHV-1
Synonyms:
BLA1_KLEPN | Beta-lactamase SHV-1 | SHV-1 beta-lactamase | bla | shv1
Type:
Protein
Mol. Mass.:
31226.68
Organism:
Klebsiella pneumoniae (Enterobacteria)
Description:
4R3B
Residue:
286
Sequence:
MRYIRLCIISLLATLPLAVHASPQPLEQIKLSESQLSGRVGMIEMDLASGRTLTAWRADERFPMMSTFKVVLCGAVLARVDAGDEQLERKIHYRQQDLVDYSPVSEKHLADGMTVGELCAAAITMSDNSAANLLLATVGGPAGLTAFLRQIGDNVTRLDRWETELNEALPGDARDTTTPASMAATLRKLLTSQRLSARSQRQLLQWMVDDRVAGPLIRSVLPAGWFIADKTGAGERGARGIVALLGPNNKAERIVVIYLRDTPASMAERNQQIAGIGAALIEHWQR
  
Inhibitor
Name:
BDBM50021954
Synonyms:
(2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid | (S)-3,3-Dimethyl-7-(R)-oxo-4,4-dioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid | 3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid | 3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid (Sulbactam) | CHEMBL403 | CP-45,899 | SULBACTAM | UNASYN | US20230322715, Compound ALK-09 | US9120808, Sulbactam sodium salt
Type:
Small organic molecule
Emp. Form.:
C8H11NO5S
Mol. Mass.:
233.242
SMILES:
CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
Structure:
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