Reaction Details Report a problem with these data
Target
Trans-sialidase
Ligand
BDBM50266334
Substrate
n/a
Meas. Tech.
ChEMBL_516607 (CHEMBL988694)
IC50
270000±n/a nM
Citation
 Neres, J; Brewer, ML; Ratier, L; Botti, H; Buschiazzo, A; Edwards, PN; Mortenson, PN; Charlton, MH; Alzari, PM; Frasch, AC; Bryce, RA; Douglas, KT Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening. Bioorg Med Chem Lett 19:589-96 (2009) [PubMed]  Article 
Target
Name:
Trans-sialidase
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
70598.62
Organism:
Trypanosoma cruzi
Description:
Q26966
Residue:
642
Sequence:
MLAPGSSRVELFKRQSSKVPFEKDGKVTERVVHSFRLPALVNVDGVMVAIADARYETSNDNSLIDTVAKYSVDDGETWETQIAIKNSRASSVSRVVDPTVIVKGNKLYVLVGSYNSSRSYWTSHGDARDWDILLAVGEVTKSTAGGKITASIKWGSPVSLKEFFPAEMEGMHTNQFLGGAGVAIVASNGNLVYPVQVTNKKKQVFSKIFYSEDEGKTWKFGKGRSAFGCSEPVALEWEGKLIINTRVDYRRRLVYESSDMGNSWLEAVGTLSRVWGPSPKSNQPGSQSSFTAVTIEGMRVMLFTHPLNFKGRWLRDRLNLWLTDNQRIYNVGQVSIGDENSAYSSVLYKDDKLYCLHEINSNEVYSLVFARLVGELRIIKSVLQSWKNWDSHLSSICTPADPAASSSERGCGPAVTTVGLVGFLSHSATKTEWEDAYRCVNASTANAERVPNGLKFAGVGGGALWPVSQQGQNQRYRFANHAFTVVASVTIHEVPSVASPLLGASLDSSGGKKLLGLSYDERHQWQPIYGSTPVTPTGSWEMGKRYHVVLTMANKIGSEYIDGEPLEGSGQTVVPDERTPDISHFYVGGYKRSDMPTISHVTVNNVLLYNRQLNAEEIRTLFLSQDLIGTEAHMDSSSDTSA
  
Inhibitor
Name:
BDBM50266334
Synonyms:
2-(2-acetyl-5-tert-butylthiophen-3-ylcarbamoyl)benzoate
Type:
Small organic molecule
Emp. Form.:
C18H18NO4S
Mol. Mass.:
344.405
SMILES:
CC(=O)c1sc(cc1NC(=O)c1ccccc1C([O-])=O)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: