Reaction Details Report a problem with these data
Target
Beta-lactamase SHV-1
Ligand
BDBM50486725
Substrate
n/a
Meas. Tech.
ChEMBL_901116 (CHEMBL3061793)
Ki
4230±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:
BDBM50486725
Synonyms:
CHEMBL2236666
Type:
Small organic molecule
Emp. Form.:
C22H19N2NaO9S
Mol. Mass.:
510.449
SMILES:
[Na;v0+].[#6][C@]1([#6]-[#8]-[#6](=O)-[#6]-c2ccc(-[#8])c(-[#8])c2)[#6@@H](-[#7]-2-[#6@@H](\[#6](=[#6]/c3ccccn3)-[#6]-2=O)S1(=O)=O)-[#6](-[#8-])=O |r|
Structure:
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