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Target
Glycogen synthase kinase-3 beta
Ligand
BDBM50610428
Substrate
n/a
Meas. Tech.
ChEMBL_2280818
IC50
0.160000±n/a nM
Citation
 Luo, G; Chen, L; Jacutin-Porte, S; Han, Y; Burton, CR; Xiao, H; Krause, CM; Cao, Y; Liu, N; Kish, K; Lewis, HA; Macor, JE; Dubowchik, GM Structure-activity relationship (SAR) studies on substituted N-(pyridin-3-yl)-2-amino-isonicotinamides as highly potent and selective glycogen synthase kinase-3 (GSK-3) inhibitors. Bioorg Med Chem Lett 81:0 (2023) [PubMed]
Target
Name:
Glycogen synthase kinase-3 beta
Synonyms:
GSK-3 beta | GSK-3, beta | GSK3B | GSK3B_HUMAN | Glycogen synthase kinase 3 beta (GSK3B) | Glycogen synthase kinase 3-beta (GSK3B) | Glycogen synthase kinase-3 beta (GSK-3B) | Glycogen synthase kinase-3 beta (GSK3 Beta) | Glycogen synthase kinase-3 beta (GSK3B) | Glycogen synthase kinase-3B (GSK-3B) | Glycogen synthase kinase-3beta (GSK3B) | Serine/threonine-protein kinase GSK3B
Type:
Enzyme
Mol. Mass.:
46756.38
Organism:
Homo sapiens (Human)
Description:
P49841
Residue:
420
Sequence:
MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
  
Inhibitor
Name:
BDBM50610428
Synonyms:
CHEMBL5284020
Type:
Small organic molecule
Emp. Form.:
C21H22ClF2N5O2
Mol. Mass.:
449.881
SMILES:
FC1(F)CCN(CC1)c1ccncc1NC(=O)c1ccnc(NC(=O)[C@@H]2C[C@H](Cl)C2)c1 |r,wU:25.26,27.29,(4.1,-2.55,;3.33,-1.21,;2.56,-2.55,;2,-.44,;2,1.1,;3.33,1.87,;4.67,1.1,;4.67,-.44,;3.33,3.41,;4.66,4.18,;4.66,5.72,;3.33,6.49,;2,5.72,;2,4.18,;.66,3.41,;-.67,4.18,;-.67,5.72,;-2.01,3.41,;-3.33,4.18,;-4.67,3.41,;-4.67,1.86,;-3.33,1.1,;-3.33,-.44,;-2,-1.21,;-.66,-.44,;-2,-2.75,;-3.09,-3.84,;-1.98,-4.95,;-1.98,-6.49,;-.89,-3.86,;-2.01,1.87,)|
Structure:
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