| Reaction Details |
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 | Report a problem with these data |
| Target | Trans-sialidase |
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| Ligand | BDBM50266703 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_516600 (CHEMBL988687) |
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| IC50 | 5000000±n/a nM |
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| 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 Lett19:589-96 (2009) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Trans-sialidase |
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| Name: | Trans-sialidase |
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| Synonyms: | n/a |
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| Type: | n/a |
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| Mol. Mass.: | 70598.62 |
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| Organism: | Trypanosoma cruzi |
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| Description: | Q26966 |
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| Residue: | 642 |
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| Sequence: | MLAPGSSRVELFKRQSSKVPFEKDGKVTERVVHSFRLPALVNVDGVMVAIADARYETSND
NSLIDTVAKYSVDDGETWETQIAIKNSRASSVSRVVDPTVIVKGNKLYVLVGSYNSSRSY
WTSHGDARDWDILLAVGEVTKSTAGGKITASIKWGSPVSLKEFFPAEMEGMHTNQFLGGA
GVAIVASNGNLVYPVQVTNKKKQVFSKIFYSEDEGKTWKFGKGRSAFGCSEPVALEWEGK
LIINTRVDYRRRLVYESSDMGNSWLEAVGTLSRVWGPSPKSNQPGSQSSFTAVTIEGMRV
MLFTHPLNFKGRWLRDRLNLWLTDNQRIYNVGQVSIGDENSAYSSVLYKDDKLYCLHEIN
SNEVYSLVFARLVGELRIIKSVLQSWKNWDSHLSSICTPADPAASSSERGCGPAVTTVGL
VGFLSHSATKTEWEDAYRCVNASTANAERVPNGLKFAGVGGGALWPVSQQGQNQRYRFAN
HAFTVVASVTIHEVPSVASPLLGASLDSSGGKKLLGLSYDERHQWQPIYGSTPVTPTGSW
EMGKRYHVVLTMANKIGSEYIDGEPLEGSGQTVVPDERTPDISHFYVGGYKRSDMPTISH
VTVNNVLLYNRQLNAEEIRTLFLSQDLIGTEAHMDSSSDTSA
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| BDBM50266703 |
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| n/a |
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| Name | BDBM50266703 |
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| Synonyms: | ethyl (3S,4R,5R)-4-acetamido-3-hydroxy-5-(2-hydroxyethoxy)cyclohex-1-enylphosphonate |
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| Type | Small organic molecule |
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| Emp. Form. | C12H21NO7P |
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| Mol. Mass. | 322.272 |
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| SMILES | CCOP([O-])(=O)C1=C[C@H](O)[C@@H](NC(C)=O)[C@@H](C1)OCCO |r,t:6| |
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| Structure | 
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