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Target
Beta-lactamase
Ligand
BDBM50240480
Substrate
n/a
Meas. Tech.
ChEMBL_542520 (CHEMBL1012503)
IC50
32±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:
BDBM50240480
Synonyms:
(2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]ethanoyl}amino)-2-methyl-4-oxoazetidine-1-sulfonate | (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]ethanoyl}amino)-2-methyl-4-oxoazetidine-1-sulfonate(aztreonam) | 2-[1-(2-Amino-thiazol-4-yl)-1-((2S,3S)-2-methyl-4-oxo-1-sulfo-azetidin-3-ylcarbamoyl)-meth-(Z)-ylideneaminooxy]-2-methyl-propionic acid | AZTREONAM | Azactam | Azetreonam | CHEMBL158 | SQ-26776
Type:
Small organic molecule
Emp. Form.:
C13H17N5O8S2
Mol. Mass.:
435.433
SMILES:
C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O |r|
Structure:
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