Reaction Details |
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Target | Glycogen synthase kinase-3 beta |
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Ligand | BDBM350085 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1852142 (CHEMBL4352766) |
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Ki | 140±n/a nM |
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Citation | Knegtel, R; Charrier, JD; Durrant, S; Davis, C; O'Donnell, M; Storck, P; MacCormick, S; Kay, D; Pinder, J; Virani, A; Twin, H; Griffiths, M; Reaper, P; Littlewood, P; Young, S; Golec, J; Pollard, J Rational Design of 5-(4-(Isopropylsulfonyl)phenyl)-3-(3-(4-((methylamino)methyl)phenyl)isoxazol-5-yl)pyrazin-2-amine (VX-970, M6620): Optimization of Intra- and Intermolecular Polar Interactions of a New Ataxia Telangiectasia Mutated and Rad3-Related (ATR) Kinase Inhibitor. J Med Chem62:5547-5561 (2019) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Glycogen synthase kinase-3 beta |
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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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BDBM350085 |
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n/a |
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Name | BDBM350085 |
Synonyms: | 3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isoxazol-5-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine | BDBM50226746 | US10208027, Compound II-1 | US10208027, Compound II-2 | US10208027, Compound II-3 | US10208027, Compound II-4 | US10479784, Compound IIA-7 | US10822331, Cmpd II-4 | US10961232, Compound IIA-7 | US11787781, Compound A |
Type | Small organic molecule |
Emp. Form. | C24H25N5O3S |
Mol. Mass. | 463.552 |
SMILES | CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C |
Structure |
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