| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Glycogen synthase kinase-3 |
|---|
| Ligand | BDBM50025658 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1433002 (CHEMBL3384538) |
|---|
| IC50 | 450±n/a nM |
|---|
| Citation |  Urich, R; Grimaldi, R; Luksch, T; Frearson, JA; Brenk, R; Wyatt, PG The design and synthesis of potent and selective inhibitors of Trypanosoma brucei glycogen synthase kinase 3 for the treatment of human african trypanosomiasis. J Med Chem57:7536-49 (2014) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Glycogen synthase kinase-3 |
|---|
| Name: | Glycogen synthase kinase-3 |
|---|
| Synonyms: | Glycogen synthase kinase-3 alpha/beta |
|---|
| Type: | n/a |
|---|
| Mol. Mass.: | n/a |
|---|
| Description: | ASSAY_ID of ChEMBL is 2193535 |
|---|
| Components: | This complex has 2 components. |
|---|
| Component 1 |
| Name: | Glycogen synthase kinase-3 alpha |
|---|
| 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) |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 50991.79 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P49840 |
|---|
| Residue: | 483 |
|---|
| Sequence: | MSGGGPSGGGPGGSGRARTSSFAEPGGGGGGGGGGPGGSASGPGGTGGGKASVGAMGGGV
GASSSGGGPGGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYT
DIKVIGNGSFGVVYQARLAETRELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFY
SSGEKKDELYLNLVLEYVPETVYRVARHFTKAKLTIPILYVKVYMYQLFRSLAYIHSQGV
CHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSS
IDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIK
AHPWTKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAHSFFDELRCLGTQLPNNRPLP
PLFNFSAGELSIQPSLNAILIPPHLRSPAGTTTLTPSSQALTETPTSSDWQSTDATPTLT
NSS
|
|
|
|---|
| Component 2 |
| 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
|
|
|
|---|
| BDBM50025658 |
|---|
| n/a |
|---|
| Name | BDBM50025658 |
|---|
| Synonyms: | CHEMBL3335160 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C17H21N5O5 |
|---|
| Mol. Mass. | 375.3791 |
|---|
| SMILES | COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)NN1CCOCC1 |
|---|
| Structure | 
|
|---|
Search and Browse
