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Target
E-selectin
Ligand
BDBM50071591
Substrate
n/a
Meas. Tech.
ChEBML_199845
IC50
>3000000±n/a nM
Citation
 Tsai, CY; Park, WK; Weitz-Schmidt, G; Ernst, B; Wong, CH Synthesis of sialyl Lewis X mimetics using the Ugi four-component reaction. Bioorg Med Chem Lett 8:2333-8 (1999) [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:
BDBM50071591
Synonyms:
2-[[1-(Methoxycarbonylmethyl-carbamoyl)-2-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-ethyl]-(3-methoxycarbonyl-propionyl)-amino]-pentanedioic acid | CHEMBL78221
Type:
Small organic molecule
Emp. Form.:
C22H34N2O15
Mol. Mass.:
566.5098
SMILES:
COC(=O)CCC(=O)N(C(CCC(O)=O)C(O)=O)C(CC1OC(CO)C(O)C(O)C1O)C(=O)NCC(=O)OC
Structure:
Search PDB for entries with ligand similarity: