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Target
E-selectin
Ligand
BDBM50205400
Substrate
n/a
Meas. Tech.
ChEMBL_428315 (CHEMBL917093)
IC50
8400±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:
BDBM50205400
Synonyms:
2-methyl-3-[3-(3,4,5-trihydroxy-phenyl)-propionylamino]-benzoic acid | CHEMBL220721
Type:
Small organic molecule
Emp. Form.:
C17H17NO6
Mol. Mass.:
331.32
SMILES:
Cc1c(NC(=O)CCc2cc(O)c(O)c(O)c2)cccc1C(O)=O
Structure:
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