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Target
Glycogen synthase kinase-3 alpha
Ligand
BDBM381117
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
IC50
3600±n/a nM
Citation
 Fyfe, MC; Thom, SM; Baker, TM; Harbottle, GW; Hasimbegovic, V; Rigby, A Urea derivatives useful as kinase inhibitors US Patent  US9890185 Publication Date 2/13/2018 
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:
BDBM381117
Synonyms:
US9890185, Example 38(an)
Type:
Small organic molecule
Emp. Form.:
C42H48N6O8S2
Mol. Mass.:
828.996
SMILES:
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)(=O)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1
Structure:
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