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Target
E-selectin
Ligand
BDBM50422280
Substrate
n/a
Meas. Tech.
ChEMBL_199714 (CHEMBL802070)
IC50
1000000±n/a nM
Citation
 Kogan, TP; Dupré, B; Bui, H; McAbee, KL; Kassir, JM; Scott, IL; Hu, X; Vanderslice, P; Beck, PJ; Dixon, RA Novel synthetic inhibitors of selectin-mediated cell adhesion: synthesis of 1,6-bis[3-(3-carboxymethylphenyl)-4-(2-alpha-D- mannopyranosyloxy)phenyl]hexane (TBC1269). J Med Chem 41:1099-111 (1998) [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:
BDBM50422280
Synonyms:
CHEMBL2303893
Type:
Small organic molecule
Emp. Form.:
C40H44O14
Mol. Mass.:
748.769
SMILES:
OC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)c(c3)-c3cccc(CC(O)=O)c3)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Structure:
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