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Target
E-selectin
Ligand
BDBM50071583
Substrate
n/a
Meas. Tech.
ChEMBL_199845 (CHEMBL807515)
IC50
500000±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:
LYAM2_HUMAN | SELE | ELAM1 | Selectin | Selectin E
Type:
PROTEIN
Mol. Mass.:
66642.96
Organism:
Human
Description:
ChEMBL_1438995
Residue:
610
Sequence:
MIASQFLSALTLVLLIKESGAWSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLNSILSYSPSYYWIGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREKDVGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSGLKCEQIVNCTALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMETMQCMSSGEWSAPIPACNVVECDAVTNPANGFVECFQNPGSFPWNTTCTFDCEEGFELMGAQSLQCTSSGNWDNEKPTCKAVTCRAVRQPQNGSVRCSHSPAGEFTFKSSCNFTCEEGFMLQGPAQVECTTQGQWTQQIPVCEAFQCTALSNPERGYMNCLPSASGSFRYGSSCEFSCEQGFVLKGSKRLQCGPTGEWDNEKPTCEAVRCDAVHQPPKGLVRCAHSPIGEFTYKSSCAFSCEEGFELHGSTQLECTSQGQWTEEVPSCQVVKCSSLAVPGKINMSCSGEPVFGTVCKFACPEGWTLNGSAARTCGATGHWSGLLPTCEAPTESNIPLVAGLSAAGLSLLTLAPFLLWLRKCLRKAKKFVPASSCQSLESDGSYQKPSYIL
  
Inhibitor
Name:
BDBM50071583
Synonyms:
2-{{2-[6-(4-{2-[2-(2-Ethoxy-ethoxy)-ethoxy]-ethoxy}-butoxymethyl)-3,4,5-trihydroxy-tetrahydro-pyran-2-yl]-acetyl}-[1-(methoxycarbonylmethyl-carbamoyl)-ethyl]-amino}-pentanedioic acid | CHEMBL74108
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CCOCCOCCOCCOCCCCOCC1OC(CC(=O)N(C(C)C(=O)NCC(=O)OC)C(CCC(O)=O)C(O)=O)C(O)C(O)C1O
Structure:
Search PDB for entries with ligand similarity: