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Target
Beta-lactamase
Ligand
BDBM50053180
Substrate
n/a
Meas. Tech.
ChEMBL_40256 (CHEMBL656486)
IC50
410±n/a nM
Citation
 Richter, HG; Angehrn, P; Hubschwerlen, C; Kania, M; Page, MG; Specklin, JL; Winkler, FK Design, synthesis, and evaluation of 2 beta-alkenyl penam sulfone acids as inhibitors of beta-lactamases. J Med Chem 39:3712-22 (1996) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
AMPC_CITFR | Cephalosporinase | ampC | blaC
Type:
PROTEIN
Mol. Mass.:
41983.84
Organism:
Citrobacter freundii
Description:
ChEMBL_40254
Residue:
381
Sequence:
MMKKSICCALLLTASFSTFAAAKTEQQIADIVNRTITPLMQEQAIPGMAVAIIYEGKPYYFTWGKADIANNHPVTQQTLFELGSVSKTFNGVLGGDRIARGEIKLSDPVTKYWPELTGKQWRGISLLHLATYTAGGLPLQIPGDVTDKAELLRFYQNWQPQWTPGAKRLYANSSIGLFGALAVKSSGMSYEEAMTRRVLQPLKLAHTWITVPQSEQKNYAWGYLEGKPVHVSPGQLDAEAYGVKSSVIDMARWVQANMDASHVQEKTLQQGIELAQSRYWRIGDMYQGLGWEMLNWPLKADSIINGSDSKVALAALPAVEVNPPAPAVKASWVHKTGSTGGFGSYVAFVPEKNLGIVMLANKSYPNPARVEAAWRILEKLQ
  
Inhibitor
Name:
BDBM50053180
Synonyms:
CHEMBL332565 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-((Z)-2-thiazol-5-yl-vinyl)-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C12H11N2O5S2
Mol. Mass.:
327.357
SMILES:
C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Structure:
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