Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGlycogen synthase kinase-3
LigandBDBM50234810
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1653993
IC50 7500±n/a nM
Citation Murár MDobia? J?ramel PAddová GHanquet GBohác A Novel CLK1 inhibitors based on N-aryloxazol-2-amine skeleton - A possible way to dual VEGFR2 TK/CLK ligands. Eur J Med Chem 126:754-761 (2017) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Glycogen synthase kinase-3
Name:Glycogen synthase kinase-3
Synonyms:n/a
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 631600
Components:This complex has 2 components.
Component 1
Name:Glycogen synthase kinase-3
Synonyms:GSK-3 alpha | GSK3A | Glycogen synthase kinase 3 alpha (GSKalpha) | Glycogen synthase kinase-3 alpha | Glycogen synthase kinase-3 alpha (GSK3 Alpha) | Glycogen synthase kinase-3 alpha (GSK3A) | Glycogen synthase kinase-3 alpha (GSK3a) | Glycogen synthase kinase-3 alpha (GSK3alpha)
Type:Enzyme
Mol. Mass.:50991.79
Organism:Homo sapiens (Human)
Description:P49840
Residue:483
Sequence:
MSGGGPSGGGPGGSGRARTSSFAEPGGGGGGGGGGPGGSASGPGGTGGGKASVGAMGGGV
GASSSGGGPGGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYT
DIKVIGNGSFGVVYQARLAETRELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFY
SSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPILYVKVYMYQLFRSLAYIHSQGV
CHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSS
IDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIK
AHPWTKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAHSFFDELRCLGTQLPNNRPLP
PLFNFSAGELSIQPSLNAILIPPHLRSPAGTTTLTPSSQALTETPTSSDWQSTDATPTLT
NSS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Glycogen synthase kinase-3 beta
Synonyms:GSK-3 beta | GSK-3, beta | 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:
BDBM50234810
n/a
NameBDBM50234810
Synonyms:CHEMBL4065167
TypeSmall organic molecule
Emp. Form.C20H20N2O4S
Mol. Mass.384.449
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2ncc(\C=C\c3ccccc3)o2)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: