Reaction Details Report a problem with these data
Target
Trans-sialidase
Ligand
BDBM50266506
Substrate
n/a
Meas. Tech.
ChEMBL_516608 (CHEMBL988695)
IC50
420000±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:
BDBM50266506
Synonyms:
3-(benzo[d]thiazol-2-yl)-4-(2-ethoxyphenyl)but-3-enoate
Type:
Small organic molecule
Emp. Form.:
C19H16NO3S
Mol. Mass.:
338.401
SMILES:
CCOc1ccccc1\C=C(/CC([O-])=O)c1nc2ccccc2s1
Structure:
Search PDB for entries with ligand similarity: