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Target
Beta-lactamase
Ligand
BDBM50053184
Substrate
n/a
Meas. Tech.
ChEMBL_542520 (CHEMBL1012503)
IC50
10300±n/a nM
Citation
 Papagiannitsis, CC; Tzouvelekis, LS; Tzelepi, E; Miriagou, V Plasmid-encoded ACC-4, an extended-spectrum cephalosporinase variant from Escherichia coli. Antimicrob Agents Chemother 51:3763-7 (2007) [PubMed]  Article 
Target
Name:
Beta-lactamase
Synonyms:
Beta-lactamase ACC-4
Type:
PROTEIN
Mol. Mass.:
42018.74
Organism:
Escherichia coli
Description:
ChEMBL_542520
Residue:
386
Sequence:
MQNTLKLLSVITCLAATVQGALAANIDESKIKDTVDDLIQPLMQKNNIPGMSVAVTVNGKNYIYNYGLAAKQPQQPVTENTLFEVGSLSKTFAATLASYAQVSGKLSLDQSVSHYVPELRGSSFDHVSVLNVGTHTSGLQLFMPEDIKNTTQLMAYLKAWKPADAAGTHRVYSNIGTGLLGMIAAKSLGVSYEDAIEKTLLPQLGMHHSYLKVPADQMENYAWGYNKKDEPVHGNMEILGNEAYGIKTTSSDLLRYVQANMGQLKLDANAKMQQALTATHTGYFKSGEITQDLMWEQLPYPVSLPNLLTGNDMAMTKSVATPIVPPLPPQENVWINKTGSTNGFGAYIAFVPAKKMGIVMLANKNYSIDQRVTVAYKILSSLEGNK
  
Inhibitor
Name:
BDBM50053184
Synonyms:
(2S,3S,5R)-3-((Z)-2-Cyano-vinyl)-3-methyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid | (2S,3S,5R)-3-(2-Cyano-vinyl)-3-methyl-4,4,7-trioxo-4lambda 6-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid | CHEMBL333078
Type:
Small organic molecule
Emp. Form.:
C10H10N2O5S
Mol. Mass.:
270.262
SMILES:
C[C@]1(\C=C/C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r|
Structure:
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