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Target
E-selectin
Ligand
BDBM50168308
Substrate
n/a
Meas. Tech.
ChEMBL_306413 (CHEMBL827876)
IC50
>50000000±n/a nM
Citation
 Girard, C; Dourlat, J; Savarin, A; Surcin, C; Leue, S; Escriou, V; Largeau, C; Herscovici, J; Scherman, D Sialyl Lewis(x) analogs based on a quinic acid scaffold as the fucose mimic. Bioorg Med Chem Lett 15:3224-8 (2005) [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:
BDBM50168308
Synonyms:
((3R,5R)-1,3,4,5-Tetrahydroxy-cyclohexanecarbonyl)-carbamic acid | CHEMBL363472
Type:
Small organic molecule
Emp. Form.:
C9H15NO7
Mol. Mass.:
249.2179
SMILES:
O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(=O)NCC(O)=O |wU:3.3,8.9,6.6,wD:3.10,1.0,(7.16,-4.84,;8.52,-4.05,;8.52,-2.5,;9.85,-1.73,;11.18,-.96,;11.18,-2.5,;11.18,-4.05,;12.54,-4.84,;9.85,-4.82,;9.85,-6.36,;8.5,-.96,;8.5,.6,;7.16,-1.73,;5.83,-.96,;4.5,-1.71,;3.16,-.94,;4.5,-3.26,)|
Structure:
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