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Target
E-selectin
Ligand
BDBM50205395
Substrate
n/a
Meas. Tech.
ChEMBL_428315 (CHEMBL917093)
IC50
41900±n/a nM
Citation
 Kranich, R; Busemann, AS; Bock, D; Schroeter-Maas, S; Beyer, D; Heinemann, B; Meyer, M; Schierhorn, K; Zahlten, R; Wolff, G; Aydt, EM Rational design of novel, potent small molecule pan-selectin antagonists. J Med Chem 50:1101-15 (2007) [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:
BDBM50205395
Synonyms:
(5-{2-[3-(3,4,5-trihydroxy-phenyl)-propionylamino]-phenyl}-thiophen-2-yl)-acetic acid | CHEMBL220565
Type:
Small organic molecule
Emp. Form.:
C21H19NO6S
Mol. Mass.:
413.444
SMILES:
OC(=O)Cc1ccc(s1)-c1ccccc1NC(=O)CCc1cc(O)c(O)c(O)c1
Structure:
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