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Target
Putative glycogen synthase kinase
Ligand
BDBM50424223
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:
BDBM50424223
Synonyms:
CHEMBL2313853
Type:
Small organic molecule
Emp. Form.:
C21H12Cl2N4OS
Mol. Mass.:
439.317
SMILES:
Nc1c(sc2nc(N)c(C#N)c(-c3ccccc3Cl)c12)C(=O)c1cccc(Cl)c1 |(27.03,-4.45,;26.56,-5.91,;27.47,-7.17,;26.56,-8.42,;25.08,-7.94,;23.75,-8.72,;22.42,-7.94,;21.08,-8.71,;22.42,-6.4,;21.08,-5.62,;19.75,-4.85,;23.75,-5.63,;23.74,-4.1,;25.07,-3.32,;25.07,-1.78,;23.73,-1.02,;22.4,-1.8,;22.41,-3.33,;21.08,-4.11,;25.08,-6.39,;29.01,-7.17,;29.78,-5.83,;29.78,-8.5,;29,-9.83,;29.77,-11.17,;31.32,-11.17,;32.08,-9.82,;33.62,-9.82,;31.31,-8.5,)|
Structure:
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