Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGlycogen synthase kinase-3 beta
LigandBDBM50332529
Substrate/Competitorn/a
Meas. Tech.ChEMBL_695103 (CHEMBL1640851)
IC50 10.8±n/a nM
Citation Khanfar, MA; Hill, RA; Kaddoumi, A; El Sayed, KA Discovery of novel GSK-3ß inhibitors with potent in vitro and in vivo activities and excellent brain permeability using combined ligand- and structure-based virtual screening. J Med Chem53:8534-45 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Glycogen synthase kinase-3 beta
Name:Glycogen synthase kinase-3 beta
Synonyms:GSK-3 beta | GSK-3, beta | GSK3B | GSK3B_HUMAN | Glycogen synthase kinase 3 beta (GSK3B) | Glycogen synthase kinase 3-beta (GSK3B) | Glycogen synthase kinase-3 beta (GSK-3B) | Glycogen synthase kinase-3 beta (GSK3 Beta) | Glycogen synthase kinase-3 beta (GSK3B) | Glycogen synthase kinase-3B (GSK-3B) | Glycogen synthase kinase-3beta (GSK3B) | Serine/threonine-protein kinase GSK3B
Type:Enzyme
Mol. Mass.:46756.38
Organism:Homo sapiens (Human)
Description:P49841
Residue:420
Sequence:
MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTK
VIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSG
EKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHR
DIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDV
WSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHP
WTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALF
NFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50332529
n/a
NameBDBM50332529
Synonyms:4-(9H-purin-6-ylamino)-2-((bis(2-chloroethyl)amino)methyl)phenol | CHEMBL1630434
TypeSmall organic molecule
Emp. Form.C16H18Cl2N6O
Mol. Mass.381.26
SMILESOc1ccc(Nc2ncnc3nc[nH]c23)cc1CN(CCCl)CCCl
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: