| Reaction Details |
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 | Report a problem with these data |
| Target | E-selectin |
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| Ligand | BDBM50104841 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_199857 (CHEMBL804921) |
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| IC50 | 700000±n/a nM |
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| Citation |  Fazli, A; Bradley, SJ; Kiefel, MJ; Jolly, C; Holmes, IH; von Itzstein, M Synthesis and biological evaluation of sialylmimetics as rotavirus inhibitors. J Med Chem44:3292-301 (2001) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| E-selectin |
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| Name: | E-selectin |
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| Synonyms: | ELAM1 | LYAM2_HUMAN | SELE | Selectin | Selectin E |
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| Type: | PROTEIN |
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| Mol. Mass.: | 66642.96 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1438995 |
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| Residue: | 610 |
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| Sequence: | MIASQFLSALTLVLLIKESGAWSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLN
SILSYSPSYYWIGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREK
DVGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSGLKCEQIVNC
TALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMETMQCMSSGEWSAPIPACNVV
ECDAVTNPANGFVECFQNPGSFPWNTTCTFDCEEGFELMGAQSLQCTSSGNWDNEKPTCK
AVTCRAVRQPQNGSVRCSHSPAGEFTFKSSCNFTCEEGFMLQGPAQVECTTQGQWTQQIP
VCEAFQCTALSNPERGYMNCLPSASGSFRYGSSCEFSCEQGFVLKGSKRLQCGPTGEWDN
EKPTCEAVRCDAVHQPPKGLVRCAHSPIGEFTYKSSCAFSCEEGFELHGSTQLECTSQGQ
WTEEVPSCQVVKCSSLAVPGKINMSCSGEPVFGTVCKFACPEGWTLNGSAARTCGATGHW
SGLLPTCEAPTESNIPLVAGLSAAGLSLLTLAPFLLWLRKCLRKAKKFVPASSCQSLESD
GSYQKPSYIL
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| BDBM50104841 |
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| n/a |
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| Name | BDBM50104841 |
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| Synonyms: | 2-[2-(2-methyltetrahydro-2H-3,4,5pyrantoilmethyl-6-hydroxy-2-hydroxymethyl-5-methylcarboxamidotetrahydro-2H-3-pyranyloxy)-3,5-dihydroxy-6-hydroxymethyltetrahydro-2H-4-pyranyloxy]-4-hydroxy-5-methylcarboxamido-6-(1,2,3-trihydroxypropyl)tetrahydro-2H-2-pyrancarboxylate | CID44340373 | rotavirus inhibitor, sialylmimetics 4 |
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| Type | Small organic molecule |
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| Emp. Form. | C32H53N2O22 |
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| Mol. Mass. | 817.764 |
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| SMILES | CC1OC(CC2C(NC(C)=O)C(O)OC(CO)C2OC2OC(CO)C(O)C(OC3(CC(O)C(NC(C)=O)C(O3)[C@H](O)[C@@H](O)CO)C([O-])=O)C2O)C(O)C(O)C1O |
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| Structure | 
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