Reaction Details Report a problem with these data
Target
Beta-lactamase SHV-1
Ligand
BDBM50486724
Substrate
n/a
Meas. Tech.
ChEMBL_901116 (CHEMBL3061793)
Ki
109860±n/a nM
Citation
  TBA Med Chem Res 21:2229-2237 (2012)    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:
BDBM50486724
Synonyms:
PENEM-1
Type:
Small organic molecule
Emp. Form.:
C12H9N3O3S2
Mol. Mass.:
307.348
SMILES:
[H][C@]12SC=C(N1C(=O)\C2=C\c1cc2CSCn2n1)C(O)=O |r,c:3|
Structure:
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