Reaction Details Report a problem with these data
Target
Glycogen synthase kinase-3 beta
Ligand
BDBM155226
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
6.5±n/a
Temperature
298.15±n/a K
IC50
7.8±n/a nM
Comments
extracted
Citation
 Nakayama, K; Sakai, D; Watanabe, K; Kohara, T; Aritomo, K Pyrimidone derivatives US Patent  US9006232 Publication Date 4/14/2015 
Target
Name:
Glycogen synthase kinase-3 beta
Synonyms:
Glycogen synthase kinase-3 beta (GSK3beta) | Tau protein kinase 1 (TPK1)
Type:
Protein
Mol. Mass.:
46641.23
Organism:
Bos taurus (cattle)
Description:
A0A059UE90
Residue:
419
Sequence:
MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPSNTTAASDANAGDRGQTNNAASASASDS
  
Inhibitor
Name:
BDBM155226
Synonyms:
US9006232, 1.903
Type:
Small organic molecule
Emp. Form.:
C27H34N6O2
Mol. Mass.:
474.5979
SMILES:
CN1CCN(Cc2ccc(cc2)[C@H]2CC[C@@H](CC2)Oc2nc(cc(=O)n2C)-c2ccncn2)CC1 |r,wU:12.12,wD:15.19,(-10,-.77,;-8.67,,;-8.67,1.54,;-7.34,2.31,;-6,1.54,;-4.67,2.31,;-3.33,1.54,;-2,2.31,;-.67,1.54,;-.67,,;-2,-.77,;-3.33,,;.67,-.77,;2,,;3.33,-.77,;3.33,-2.31,;2,-3.08,;.67,-2.31,;4.67,-3.08,;6,-2.31,;6,-.77,;7.34,,;8.67,-.77,;8.67,-2.31,;10,-3.08,;7.34,-3.08,;7.34,-4.62,;7.34,1.54,;6,2.31,;6,3.85,;7.34,4.62,;8.67,3.85,;8.67,2.31,;-6,,;-7.34,-.77,)|
Structure:
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