Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTrans-sialidase
LigandBDBM50266506
Substrate/Competitorn/a
Meas. Tech.ChEMBL_516608 (CHEMBL988695)
IC50 420000±n/a nM
Citation Neres, JBrewer, MLRatier, LBotti, HBuschiazzo, AEdwards, PNMortenson, PNCharlton, MHAlzari, PMFrasch, ACBryce, RADouglas, KT Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening. Bioorg Med Chem Lett19:589-96 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Trans-sialidase
Name:Trans-sialidase
Synonyms:n/a
Type:n/a
Mol. Mass.:70598.62
Organism:Trypanosoma cruzi
Description:Q26966
Residue:642
Sequence:
MLAPGSSRVELFKRQSSKVPFEKDGKVTERVVHSFRLPALVNVDGVMVAIADARYETSND
NSLIDTVAKYSVDDGETWETQIAIKNSRASSVSRVVDPTVIVKGNKLYVLVGSYNSSRSY
WTSHGDARDWDILLAVGEVTKSTAGGKITASIKWGSPVSLKEFFPAEMEGMHTNQFLGGA
GVAIVASNGNLVYPVQVTNKKKQVFSKIFYSEDEGKTWKFGKGRSAFGCSEPVALEWEGK
LIINTRVDYRRRLVYESSDMGNSWLEAVGTLSRVWGPSPKSNQPGSQSSFTAVTIEGMRV
MLFTHPLNFKGRWLRDRLNLWLTDNQRIYNVGQVSIGDENSAYSSVLYKDDKLYCLHEIN
SNEVYSLVFARLVGELRIIKSVLQSWKNWDSHLSSICTPADPAASSSERGCGPAVTTVGL
VGFLSHSATKTEWEDAYRCVNASTANAERVPNGLKFAGVGGGALWPVSQQGQNQRYRFAN
HAFTVVASVTIHEVPSVASPLLGASLDSSGGKKLLGLSYDERHQWQPIYGSTPVTPTGSW
EMGKRYHVVLTMANKIGSEYIDGEPLEGSGQTVVPDERTPDISHFYVGGYKRSDMPTISH
VTVNNVLLYNRQLNAEEIRTLFLSQDLIGTEAHMDSSSDTSA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50266506
n/a
NameBDBM50266506
Synonyms:3-(benzo[d]thiazol-2-yl)-4-(2-ethoxyphenyl)but-3-enoate
TypeSmall organic molecule
Emp. Form.C19H16NO3S
Mol. Mass.338.401
SMILESCCOc1ccccc1\C=C(/CC([O-])=O)c1nc2ccccc2s1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: