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Target
E-selectin
Ligand
BDBM50104841
Substrate
n/a
Meas. Tech.
ChEMBL_199857 (CHEMBL804921)
IC50
700000±n/a nM
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 Chem 44:3292-301 (2001) [PubMed]  Article 
Target
Name:
E-selectin
Synonyms:
ELAM1 | LYAM2_HUMAN | SELE | Selectin | Selectin E
Type:
PROTEIN
Mol. Mass.:
66642.96
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1438995
Residue:
610
Sequence:
MIASQFLSALTLVLLIKESGAWSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLNSILSYSPSYYWIGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREKDVGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSGLKCEQIVNCTALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMETMQCMSSGEWSAPIPACNVVECDAVTNPANGFVECFQNPGSFPWNTTCTFDCEEGFELMGAQSLQCTSSGNWDNEKPTCKAVTCRAVRQPQNGSVRCSHSPAGEFTFKSSCNFTCEEGFMLQGPAQVECTTQGQWTQQIPVCEAFQCTALSNPERGYMNCLPSASGSFRYGSSCEFSCEQGFVLKGSKRLQCGPTGEWDNEKPTCEAVRCDAVHQPPKGLVRCAHSPIGEFTYKSSCAFSCEEGFELHGSTQLECTSQGQWTEEVPSCQVVKCSSLAVPGKINMSCSGEPVFGTVCKFACPEGWTLNGSAARTCGATGHWSGLLPTCEAPTESNIPLVAGLSAAGLSLLTLAPFLLWLRKCLRKAKKFVPASSCQSLESDGSYQKPSYIL
  
Inhibitor
Name:
BDBM50104841
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
Type:
Small organic molecule
Emp. Form.:
C32H53N2O22
Mol. Mass.:
817.764
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
Structure:
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