Reaction Details Report a problem with these data
Target
Beta-lactamase
Ligand
BDBM50022788
Substrate
n/a
Meas. Tech.
ChEMBL_542520 (CHEMBL1012503)
IC50
26±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:
BDBM50022788
Synonyms:
(2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid | (2S,5R,6R)-6-{[3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid | 6-{[3-(2-Chloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid | CHEMBL891 | CLOXAPEN | TEGOPEN | cloxacillin
Type:
Small organic molecule
Emp. Form.:
C19H18ClN3O5S
Mol. Mass.:
435.881
SMILES:
Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl |r|
Structure:
Search PDB for entries with ligand similarity: