Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGlycogen synthase kinase-3 alpha
LigandBDBM298393
Substrate/Competitorn/a
Meas. Tech.Enzyme Inhibition
IC50 2789±n/a nM
Citation Baker, TMFyfe, MCJones, GThom, SM Kinase inhibitors US Patent US10392346 Publication Date 8/27/2019
More Info.:Get all data from this article,  Assay Method
 
Glycogen synthase kinase-3 alpha
Name:Glycogen synthase kinase-3 alpha
Synonyms:GSK-3 alpha | GSK3A | GSK3A_HUMAN | Glycogen synthase kinase 3 alpha (GSKalpha) | Glycogen synthase kinase-3 | Glycogen synthase kinase-3 alpha | Glycogen synthase kinase-3 alpha (GSK3 Alpha) | 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:
BDBM298393
n/a
NameBDBM298393
Synonyms:4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-methoxy-phenyl]carbamoylamino]-1-naphthyl]oxy]-2-pyridyl]amino]-2-ethynyl-N-(2-morpholinoethyl)benzamide | US10125100, Example 15 | US10392346, Example 15 | US10941115, Example 15 | US9751837, Example 15
TypeSmall organic molecule
Emp. Form.C43H47N7O7S
Mol. Mass.805.941
SMILESCOc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)c(c4)C#C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: