Reaction Details |
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Target | Glycogen synthase kinase-3 beta/[Tau protein] kinase |
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Ligand | BDBM50523268 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1889413 (CHEMBL4391167) |
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IC50 | 21±n/a nM |
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Citation | Oukoloff, K; Coquelle, N; Bartolini, M; Naldi, M; Le Guevel, R; Bach, S; Josselin, B; Ruchaud, S; Catto, M; Pisani, L; Denora, N; Iacobazzi, RM; Silman, I; Sussman, JL; Buron, F; Colletier, JP; Jean, L; Routier, S; Renard, PY Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3. Eur J Med Chem168:58-77 (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/[Tau protein] kinase |
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Name: | Glycogen synthase kinase-3 beta/[Tau protein] kinase |
Synonyms: | Glycogen synthase kinase-3 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 2105817 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Glycogen synthase kinase-3 beta |
Synonyms: | Glycogen synthase kinase 3 beta | Glycogen synthase kinase-3 |
Type: | PROTEIN |
Mol. Mass.: | 46774.42 |
Organism: | Sus scrofa |
Description: | ChEMBL_939732 |
Residue: | 420 |
Sequence: | MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTMVATPGQGPDRPQEVSYTDAK
VIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSG
EKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHR
DIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDV
WSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHP
WTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALF
NFTTQELSSNPPLATILIPPHARIQAAASTPSNATAASDTNAGDRGQTNNTASASASNST
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Component 2 |
Name: | [Tau protein] kinase |
Synonyms: | GSK3A | Glycogen synthase kinase 3 alpha |
Type: | PROTEIN |
Mol. Mass.: | 51010.29 |
Organism: | Sus scrofa |
Description: | ChEMBL_117799 |
Residue: | 483 |
Sequence: | MSGGAPSGGGPGGSGRARTSSFAEHGGGGGGSGGGPGGSASGPGGGGGGKPSVGAMGGGV
GASSSGGGPSGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYT
DIKVIGNGSFGVVYQARLADTRELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFY
SSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPIIYVKVYMYQLFRSLAYIHSQGV
CHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATGYTSS
IDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIK
AHPWTKVFKSRTPPEAITLCSSLLEYTPSSRLSPLEACAHNFFDELRCPGTQLPNNRPLP
PLFNFSPGELTIQPSLNAILIPPHLRSPAGTASLTSSSQALSETPTGPDWQSTDATTPLT
NSS
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BDBM50523268 |
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n/a |
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Name | BDBM50523268 |
Synonyms: | CHEMBL4593316 |
Type | Small organic molecule |
Emp. Form. | C37H39N9O2 |
Mol. Mass. | 641.7647 |
SMILES | O=C(Nc1cc(CCc2cn(CCNc3c4CCCCc4nc4ccccc34)nn2)ccn1)Nc1cccc2C(=O)N3CCCCC3c12 |
Structure |
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