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TargetGlycogen synthase kinase-3 beta
LigandBDBM50050712
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1458409 (CHEMBL3369839)
Ki 1600±n/a nM
Citation Clark, MP; Ledeboer, MW; Davies, I; Byrn, RA; Jones, SM; Perola, E; Tsai, A; Jacobs, M; Nti-Addae, K; Bandarage, UK; Boyd, MJ; Bethiel, RS; Court, JJ; Deng, H; Duffy, JP; Dorsch, WA; Farmer, LJ; Gao, H; Gu, W; Jackson, K; Jacobs, DH; Kennedy, JM; Ledford, B; Liang, J; Maltais, F; Murcko, M; Wang, T; Wannamaker, MW; Bennett, HB; Leeman, JR; McNeil, C; Taylor, WP; Memmott, C; Jiang, M; Rijnbrand, R; Bral, C; Germann, U; Nezami, A; Zhang, Y; Salituro, FG; Bennani, YL; Charifson, PS Discovery of a novel, first-in-class, orally bioavailable azaindole inhibitor (VX-787) of influenza PB2. J Med Chem57:6668-78 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Glycogen synthase kinase-3 beta
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:
MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTK
VIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSG
EKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHR
DIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDV
WSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHP
WTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALF
NFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
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  Blast E-value cutoff:
BDBM50050712
n/a
NameBDBM50050712
Synonyms:CHEMBL3318007
TypeSmall organic molecule
Emp. Form.C20H19F2N5O2
Mol. Mass.399.394
SMILESOC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:3.2,wD:10.12,(15.61,-25.66,;14.11,-26.02,;13.05,-24.9,;13.67,-27.49,;14.73,-28.62,;14.29,-30.09,;12.8,-30.45,;11.74,-29.34,;12.83,-28.23,;13.22,-29.72,;12.18,-27.86,;11.12,-26.75,;9.63,-27.1,;9.19,-28.58,;7.69,-28.94,;6.63,-27.82,;7.06,-26.35,;8.56,-25.99,;9,-24.51,;7.25,-30.41,;8.2,-31.63,;7.32,-32.91,;5.84,-32.47,;4.53,-33.27,;3.18,-32.54,;3.14,-31,;1.79,-30.27,;4.45,-30.19,;5.8,-30.93,)|
Structure
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