Ki Summary

Reaction Details

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Target

Glycogen synthase kinase-3 alpha

Ligand

BDBM50377248

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_479409 (CHEMBL928211)

IC50

61±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

BDBM50377248

n/a

Name

BDBM50377248

Synonyms:

CHEMBL255905

Type

Small organic molecule

Emp. Form.

C21H29F3N4O2

Mol. Mass.

426.4758

SMILES

O[C@H]1CC[C@@H](CC1)Nc1ncc(c(NC23CC4CC(CC(O)(C4)C2)C3)n1)C(F)(F)F |w:18.19,16.16,wU:4.7,wD:1.0,TLB:13:14:17:22.19.20,21:20:17.18.24:15,THB:19:20:17.18.24:15,21:20:17:24.14.15,23:20:17:24.14.15,23:14:17:22.19.20,TEB:19:18:15:22.20.23,(-3.23,-28.53,;-3.23,-26.99,;-1.9,-26.21,;-1.9,-24.67,;-3.23,-23.91,;-4.57,-24.68,;-4.57,-26.22,;-3.24,-22.37,;-4.57,-21.6,;-4.58,-20.05,;-5.92,-19.29,;-7.24,-20.06,;-7.24,-21.6,;-8.58,-22.37,;-8.59,-23.91,;-9.93,-24.39,;-9.93,-25.88,;-11.12,-27.15,;-9.62,-26.73,;-8.22,-27.3,;-7.2,-26.02,;-5.66,-25.96,;-8.6,-26.37,;-7.19,-24.49,;-9.63,-25.15,;-5.91,-22.37,;-8.58,-19.29,;-9.92,-18.52,;-7.81,-17.95,;-9.34,-20.63,)|

Structure