Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Beta-lactamase
Ligand
BDBM50212641
Substrate
n/a
Meas. Tech.
ChEMBL_40257 (CHEMBL656487)
IC50
1780±n/a nM
Citation
TBA Bioorg Med Chem Lett 3:2247-2252 (1993) More Info.:
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:
BDBM50212641
Synonyms:
Brobactam
Type:
Small organic molecule
Emp. Form.:
C8H10BrNO3S
Mol. Mass.:
280.139
SMILES:
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2Br)C(O)=O
Structure:
