Ki Summary

Reaction Details

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Target

Glycogen synthase kinase-3 alpha

Ligand

BDBM50377249

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_479409 (CHEMBL928211)

IC50

444±n/a nM

Citation

Lum, C; Kahl, J; Kessler, L; Kucharski, J; Lundström, J; Miller, S; Nakanishi, H; Pei, Y; Pryor, K; Roberts, E; Sebo, L; Sullivan, R; Urban, J; Wang, Z 2,5-Diaminopyrimidines and 3,5-disubstituted azapurines as inhibitors of glycogen synthase kinase-3 (GSK-3). Bioorg Med Chem Lett18:3578-81 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Glycogen synthase kinase-3 alpha

Name:

Glycogen synthase kinase-3 alpha

Synonyms:

Type:

Enzyme

Mol. Mass.:

50991.79

Organism:

Homo sapiens (Human)

Description:

P49840

Residue:

483

Sequence:

MSGGGPSGGGPGGSGRARTSSFAEPGGGGGGGGGGPGGSASGPGGTGGGKASVGAMGGGV
GASSSGGGPGGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYT
DIKVIGNGSFGVVYQARLAETRELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFY
SSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPILYVKVYMYQLFRSLAYIHSQGV
CHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSS
IDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIK
AHPWTKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAHSFFDELRCLGTQLPNNRPLP
PLFNFSAGELSIQPSLNAILIPPHLRSPAGTTTLTPSSQALTETPTSSDWQSTDATPTLT
NSS

BDBM50377249

n/a

Name

BDBM50377249

Synonyms:

CHEMBL254155

Type

Small organic molecule

Emp. Form.

C20H28N6O2

Mol. Mass.

384.4753

SMILES

O[C@H]1CC[C@@H](CC1)Nc1ncc2nnn(c2n1)C12CC3CC(CC(O)(C3)C1)C2 |w:19.28,21.24,wU:4.7,wD:1.0,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26,(27.96,-16.98,;27.96,-15.44,;29.3,-14.66,;29.3,-13.13,;27.97,-12.36,;26.63,-13.13,;26.63,-14.67,;27.97,-10.82,;26.64,-10.05,;26.64,-8.5,;25.3,-7.73,;23.96,-8.5,;22.5,-8.03,;21.59,-9.28,;22.5,-10.52,;23.97,-10.04,;25.29,-10.82,;22.03,-11.99,;20.68,-12.46,;20.69,-13.95,;19.49,-15.23,;20.99,-14.81,;22.4,-15.37,;23.41,-14.09,;24.95,-14.03,;22.02,-14.44,;23.43,-12.56,;20.99,-13.22,)|

Structure