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Target
Putative glycogen synthase kinase
Ligand
BDBM50424222
Substrate
n/a
Meas. Tech.
ChEMBL_934472 (CHEMBL2321419)
IC50
>100000±n/a nM
Citation
 Fugel, W; Oberholzer, AE; Gschloessl, B; Dzikowski, R; Pressburger, N; Preu, L; Pearl, LH; Baratte, B; Ratin, M; Okun, I; Doerig, C; Kruggel, S; Lemcke, T; Meijer, L; Kunick, C 3,6-Diamino-4-(2-halophenyl)-2-benzoylthieno[2,3-b]pyridine-5-carbonitriles are selective inhibitors of Plasmodium falciparum glycogen synthase kinase-3. J Med Chem 56:264-75 (2013) [PubMed]  Article 
Target
Name:
Putative glycogen synthase kinase
Synonyms:
GSK3
Type:
PROTEIN
Mol. Mass.:
40718.45
Organism:
Leishmania major
Description:
ChEMBL_934472
Residue:
355
Sequence:
MSLNAAAAADERSRKEMDRFQVERMAGQGTFGTVQLGKEKSTGMSVAIKKVIQDPRFRNRELQIMQDLAVLHHPNIVQLQSYFYTLGERDRRDIYLNVVMEYVPDTLHRCCRNYYRRQVAPPPILIKVFLFQLIRSIGCLHLPSVNVCHRDIKPHNVLVNEADGTLKLCDFGSAKKLSPSEPNVAYICSRYYRAPELIFGNQHYTTAVDIWSVGCIFAEMMLGEPIFRGDNSAGQLHEIVRVLGCPSREVLRKLNPSHTDVDLYNSKGIPWSNVFSDHSLKDAKEAYDLLSALLQYLPEERMKPYEALCHPYFDELHDPATKLPNNKDLPEDLFRFLPNEIEVMSEAQKAKLVRK
  
Inhibitor
Name:
BDBM50424222
Synonyms:
CHEMBL2314101
Type:
Small organic molecule
Emp. Form.:
C22H12ClN5OS
Mol. Mass.:
429.882
SMILES:
Nc1c(sc2nc(N)c(C#N)c(-c3ccccc3Cl)c12)C(=O)c1cccc(c1)C#N |(27.74,-14.77,;27.26,-16.24,;28.17,-17.49,;27.26,-18.75,;25.79,-18.27,;24.45,-19.04,;23.12,-18.27,;21.78,-19.04,;23.12,-16.72,;21.78,-15.94,;20.45,-15.17,;24.45,-15.95,;24.44,-14.42,;25.77,-13.64,;25.77,-12.11,;24.43,-11.34,;23.1,-12.12,;23.11,-13.66,;21.78,-14.43,;25.78,-16.72,;29.71,-17.49,;30.48,-16.16,;30.48,-18.82,;29.71,-20.15,;30.48,-21.49,;32.02,-21.49,;32.79,-20.14,;32.01,-18.82,;34.32,-20.14,;35.86,-20.13,)|
Structure:
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