Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGlycogen synthase kinase-3
LigandBDBM298417
Substrate/Competitorn/a
Meas. Tech.GSK 3alpha Enzyme Inhibition
IC50 674±n/a nM
Citation Baker, TMFyfe, MCJones, GThom, SM Kinase inhibitors US Patent US10125100 Publication Date 11/13/2018
More Info.:Get all data from this article,  Assay Method
 
Glycogen synthase kinase-3
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:
BDBM298417
NameBDBM298417
Synonyms:4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]carbamoylamino]-1-naphthyl]oxy]-2-pyridyl]amino]-2-methoxy-N-(2-piperazin-1-ylethyl)benzamide | US10125100, Example 17(w) | US9751837, Example 17(w)
TypeSmall organic molecule
Emp. Form.C42H50N8O7S
Mol. Mass.810.961
SMILESCOc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCNCC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a