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Target
Beta-lactamase
Ligand
BDBM50053183
Substrate
n/a
Meas. Tech.
ChEMBL_40256 (CHEMBL656486)
IC50
16000±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:
BDBM50053183
Synonyms:
CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-((2S,3S,5R)-2-carboxy-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]hept-3-yl)-allyl]-pyridinium;
Type:
Small organic molecule
Emp. Form.:
C15H17N2O5S
Mol. Mass.:
337.37
SMILES:
C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Structure:
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