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Target
Beta-lactamase
Ligand
BDBM50088830
Substrate
n/a
Meas. Tech.
ChEMBL_47850 (CHEMBL660938)
IC50
1480±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:
BDBM50088830
Synonyms:
CHEMBL353230 | Sodium; 3-((E)-2-tert-butoxycarbonyl-vinyl)-5,5,8-trioxo-7-[1-pyridin-2-yl-meth-(Z)-ylidene]-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C20H19N2O7S
Mol. Mass.:
431.44
SMILES:
CC(C)(C)OC(=O)\C=C\C1=C(N2C(\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C([O-])=O |t:9|
Structure:
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