| Reaction Details |
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 | Report a problem with these data |
| Target | Glycogen synthase kinase-3 |
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| Ligand | BDBM50188913 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_389609 (CHEMBL868620) |
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| IC50 | >10000±n/a nM |
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| Citation |  Lin, X; Murray, JM; Rico, AC; Wang, MX; Chu, DT; Zhou, Y; Del Rosario, M; Kaufman, S; Ma, S; Fang, E; Crawford, K; Jefferson, AB Discovery of 2-pyrimidyl-5-amidothiophenes as potent inhibitors for AKT: synthesis and SAR studies. Bioorg Med Chem Lett16:4163-8 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Glycogen synthase kinase-3 |
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| Name: | Glycogen synthase kinase-3 |
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| Synonyms: | Glycogen synthase kinase-3 alpha/beta |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 2193535 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Glycogen synthase kinase-3 alpha |
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| Synonyms: | GSK-3 alpha | GSK3A | GSK3A_HUMAN | Glycogen synthase kinase 3 alpha (GSKalpha) | Glycogen synthase kinase-3 | Glycogen synthase kinase-3 alpha | Glycogen synthase kinase-3 alpha (GSK3 Alpha) | Glycogen synthase kinase-3 alpha (GSK3A) | Glycogen synthase kinase-3 alpha (GSK3alpha) |
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| Type: | Enzyme |
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| Mol. Mass.: | 50991.79 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P49840 |
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| Residue: | 483 |
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| Sequence: | MSGGGPSGGGPGGSGRARTSSFAEPGGGGGGGGGGPGGSASGPGGTGGGKASVGAMGGGV
GASSSGGGPGGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYT
DIKVIGNGSFGVVYQARLAETRELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFY
SSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPILYVKVYMYQLFRSLAYIHSQGV
CHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSS
IDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIK
AHPWTKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAHSFFDELRCLGTQLPNNRPLP
PLFNFSAGELSIQPSLNAILIPPHLRSPAGTTTLTPSSQALTETPTSSDWQSTDATPTLT
NSS
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| Component 2 |
| Name: | Glycogen synthase kinase-3 beta |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 46756.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P49841 |
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| Residue: | 420 |
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| Sequence: | MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTK
VIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSG
EKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHR
DIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDV
WSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHP
WTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALF
NFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
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| BDBM50188913 |
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| n/a |
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| Name | BDBM50188913 |
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| Synonyms: | CHEMBL213618 | N-((S)-1-amino-3-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE |
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| Type | Small organic molecule |
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| Emp. Form. | C19H19Cl2N5OS |
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| Mol. Mass. | 436.358 |
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| SMILES | CNc1nccc(n1)-c1ccc(s1)C(=O)N[C@H](CN)Cc1ccc(Cl)cc1Cl |
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| Structure | 
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