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Target
Trans-sialidase
Ligand
BDBM50266703
Substrate
n/a
Meas. Tech.
ChEMBL_516600 (CHEMBL988687)
IC50
5000000±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:
BDBM50266703
Synonyms:
ethyl (3S,4R,5R)-4-acetamido-3-hydroxy-5-(2-hydroxyethoxy)cyclohex-1-enylphosphonate
Type:
Small organic molecule
Emp. Form.:
C12H21NO7P
Mol. Mass.:
322.272
SMILES:
CCOP([O-])(=O)C1=C[C@H](O)[C@@H](NC(C)=O)[C@@H](C1)OCCO |r,t:6|
Structure:
Search PDB for entries with ligand similarity: