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Target
Trans-sialidase
Ligand
BDBM50266510
Substrate
n/a
Meas. Tech.
ChEMBL_516607 (CHEMBL988694)
IC50
290000±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:
BDBM50266510
Synonyms:
2-(2-acetylthiophen-3-ylcarbamoyl)benzoate | cid_2808378
Type:
Small organic molecule
Emp. Form.:
C14H10NO4S
Mol. Mass.:
288.299
SMILES:
CC(=O)c1sccc1NC(=O)c1ccccc1C([O-])=O
Structure:
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