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Target
Beta-lactamase
Ligand
BDBM50088829
Substrate
n/a
Meas. Tech.
ChEMBL_47850 (CHEMBL660938)
IC50
6600±n/a nM
Citation
 Buynak, JD; Doppalapudi, VR; Adam, G The synthesis and evaluation of 3-substituted-7-(alkylidene)cephalosporin sulfones as beta-lactamase inhibitors. Bioorg Med Chem Lett 10:853-7 (2000) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
Beta-lactamase class C
Type:
PROTEIN
Mol. Mass.:
41618.07
Organism:
Enterobacter cloacae
Description:
ChEMBL_47855
Residue:
384
Sequence:
MMKKSLCCALLLGISCSALATPVSEKQLAEVVANTVTPLMKAQSVPGMAVAVIYQGKPHYYTFGKADIAANKPVTPQTLFELGSISKTFTGVLGGDAIARGEISLDDPVTRYWPQLTGKQWQGIRMLDLATYTAGGLPLQVPDEVTDNASLLRFYQNWQPQWKPGTTRLYANASIGLFGALAVKPSGMPYEQAMTTRVLKPLKLDHTWINVPKAEEAHYAWGYRDGKAVRAVRVSPGMLDAQAYGVKTNVQDMANWVMANMAPENVADASLKQGIALAQSRYWRIGSMYQGLGWEMLNWPVEANTVVEGSDSKVALAPLPVAEVNPPAPPVKASWVHKTGSTGGFGSYVAFIPEKQIGIVMLANTSYPNPARVEAAYHILEALQ
  
Inhibitor
Name:
BDBM50088829
Synonyms:
CHEMBL169373 | disodium (7Z)-4-methylene-3-[(1E)-3-oxido-3-oxoprop-1-enyl]-8-oxo-7-(pyridin-2-ylmethylene)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5,5-dioxide
Type:
Small organic molecule
Emp. Form.:
C17H10N2O7S
Mol. Mass.:
386.337
SMILES:
[O-]C(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1=C)C([O-])=O |t:5|
Structure:
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