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TargetE-selectin
LigandBDBM50411202
Substrate/Competitorn/a
Meas. Tech.ChEMBL_416605 (CHEMBL630112)
IC50 20000±n/a nM
Citation Ulbrich, HKLuxenburger, APrech, PEriksson, EESoehnlein, ORotzius, PLindbom, LDannhardt, G A novel class of potent nonglycosidic and nonpeptidic pan-selectin inhibitors. J Med Chem49:5988-99 (2006) [PubMed]  Article
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:
BDBM50411202
n/a
NameBDBM50411202
Synonyms:CHEMBL216129
TypeSmall organic molecule
Emp. Form.C47H67NO8
Mol. Mass.774.0368
SMILES[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-c1cc(-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])cc(-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]\[#7]=[#6](\c2ccc(cc2)-[#6](-[#8])=O)-c2ccc(cc2)-[#6](-[#8])=O)c1
Structure
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