Reaction Details Report a problem with these data
Target
Glycogen synthase kinase-3 alpha
Ligand
BDBM173197
Substrate
n/a
Meas. Tech.
HTS Assay
Temperature
298.15±n/a K
IC50
13±n/a nM
Comments
extracted
Citation
 Wagner, FF; Pan, JQ; Dandapani, S; Germain, A; Holson, E; Munoz, B; Nag, PP; Weiwer, M; Lewis, MC; Haggarty, SJ; Bishop, JA; Stegmaier, K; Banerji, V Kinase inhibitors and methods of use thereof US Patent  US9096594 Publication Date 8/4/2015 
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:
BDBM173197
Synonyms:
US10137122, Compound 53 | US9096594, 54
Type:
Small organic molecule
Emp. Form.:
C20H20F3N3O2
Mol. Mass.:
391.3869
SMILES:
COc1ccccc1C1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F |c:13|
Structure:
Search PDB for entries with ligand similarity: