Reaction Details  Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50212637
Substrate
n/a
Meas. Tech.
ChEMBL_40257 (CHEMBL656487)
IC50
456±n/a nM
Citation
  TBA Bioorg Med Chem Lett 3:2247-2252 (1993)  
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:
BDBM50212637
Synonyms:
CHEMBL72046
Type:
Small organic molecule
Emp. Form.:
C11H14N2O5S3
Mol. Mass.:
350.434
SMILES:
[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CSC1=NCCS1)S2(=O)=O |t:15|
Structure:
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