Reaction Details Report a problem with these data
Target
E-selectin
Ligand
BDBM528656
Substrate
n/a
Meas. Tech.
Binding Assay
IC50
190±n/a nM
Citation
Magnani, JL; Peterson, JM; Sarkar, AK; Vohra, YU; Baek, M Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists US Patent US11197877 Publication Date 12/14/2021
More Info.:
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:
BDBM528656
Synonyms:
US11197877, Compound 24
Type:
Small organic molecule
Emp. Form.:
C38H61N3Na4O27S3
Mol. Mass.:
1180.049
SMILES:
CCC1CC(C[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O[Na])C2NC(C)=O)[C@@H]1O[C@@H]1OC(C)[C@@H](O)[C@H](O)C1O)C(=O)NCCNC(=O)[C@@H](OS(=O)(=O)O[Na])[C@@H](COS(=O)(=O)O[Na])OS(=O)(=O)O[Na] |r|