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TargetE-selectin
LigandBDBM50422123
Substrate/Competitorn/a
Meas. Tech.ChEMBL_60882 (CHEMBL673529)
IC50 7000000±n/a nM
Citation Kogan, TPDupré, BKeller, KMScott, ILBui, HMarket, RVBeck, PJVoytus, JARevelle, BMScott, D Rational design and synthesis of small molecule, non-oligosaccharide selectin inhibitors: (alpha-D-mannopyranosyloxy)biphenyl-substituted carboxylic acids. J Med Chem38:4976-84 (1996) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
E-selectin
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:
MIASQFLSALTLVLLIKESGAWSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLN
SILSYSPSYYWIGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREK
DVGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSGLKCEQIVNC
TALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMETMQCMSSGEWSAPIPACNVV
ECDAVTNPANGFVECFQNPGSFPWNTTCTFDCEEGFELMGAQSLQCTSSGNWDNEKPTCK
AVTCRAVRQPQNGSVRCSHSPAGEFTFKSSCNFTCEEGFMLQGPAQVECTTQGQWTQQIP
VCEAFQCTALSNPERGYMNCLPSASGSFRYGSSCEFSCEQGFVLKGSKRLQCGPTGEWDN
EKPTCEAVRCDAVHQPPKGLVRCAHSPIGEFTYKSSCAFSCEEGFELHGSTQLECTSQGQ
WTEEVPSCQVVKCSSLAVPGKINMSCSGEPVFGTVCKFACPEGWTLNGSAARTCGATGHW
SGLLPTCEAPTESNIPLVAGLSAAGLSLLTLAPFLLWLRKCLRKAKKFVPASSCQSLESD
GSYQKPSYIL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50422123
n/a
NameBDBM50422123
Synonyms:CHEMBL2303953
TypeSmall organic molecule
Emp. Form.C20H21NO6
Mol. Mass.371.3838
SMILESOC[C@H]1O[C@H](Oc2ccccc2-c2cccc(CC#N)c2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: