Reaction Details Report a problem with these data
Target
Glycogen synthase kinase-3 alpha
Ligand
BDBM334359
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
531±n/a nM
Citation
 Frickel, F; Fyfe, MC; Meghani, P; Thom, SM Kinase inhibitors US Patent  US9732063 Publication Date 8/15/2017 
Target
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:
MSGGGPSGGGPGGSGRARTSSFAEPGGGGGGGGGGPGGSASGPGGTGGGKASVGAMGGGVGASSSGGGPGGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYTDIKVIGNGSFGVVYQARLAETRELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPILYVKVYMYQLFRSLAYIHSQGVCHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAHSFFDELRCLGTQLPNNRPLPPLFNFSAGELSIQPSLNAILIPPHLRSPAGTTTLTPSSQALTETPTSSDWQSTDATPTLTNSS
  
Inhibitor
Name:
BDBM334359
Synonyms:
1-(3-(tert-Butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(4-((2-((3-methoxy-5-((3-morpholinopropyl)-sulfonyl)phenyl)amino)pyrimidin-4-yl)oxy)naphthalen-1-yl)urea | US9732063, Example 43
Type:
Small organic molecule
Emp. Form.:
C43H48N8O6S
Mol. Mass.:
804.956
SMILES:
COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccc(C)cc4)C(C)(C)C)c4ccccc34)n2)cc(c1)S(=O)(=O)CCCN1CCOCC1
Structure:
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