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TargetTrans-sialidase
LigandBDBM50266335
Substrate/Competitorn/a
Meas. Tech.ChEMBL_516607 (CHEMBL988694)
IC50 280000±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
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  Blast E-value cutoff:
BDBM50266335
n/a
NameBDBM50266335
Synonyms:(5-(2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethylthio)-1,3,4-thiadiazol-2-yl)(tosyl)amide
TypeSmall organic molecule
Emp. Form.C18H15N4O5S3
Mol. Mass.463.531
SMILESCc1ccc(cc1)S(=O)(=O)[N-]c1nnc(SCC(=O)Nc2ccc3OCOc3c2)s1
Structure
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