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Target
Putative glycogen synthase kinase
Ligand
BDBM50424225
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:
BDBM50424225
Synonyms:
CHEMBL2313844
Type:
Small organic molecule
Emp. Form.:
C21H12ClIN4OS
Mol. Mass.:
530.769
SMILES:
Nc1c(sc2nc(N)c(C#N)c(-c3ccccc3I)c12)C(=O)c1cccc(Cl)c1 |(12,-38.21,;11.52,-39.68,;12.44,-40.93,;11.53,-42.18,;10.05,-41.71,;8.72,-42.48,;7.38,-41.71,;6.05,-42.47,;7.39,-40.16,;6.05,-39.38,;4.72,-38.61,;8.71,-39.39,;8.7,-37.86,;10.04,-37.08,;10.03,-35.55,;8.7,-34.78,;7.36,-35.56,;7.37,-37.1,;6.04,-37.87,;10.05,-40.15,;13.98,-40.93,;14.75,-39.6,;14.75,-42.26,;13.97,-43.59,;14.74,-44.93,;16.28,-44.93,;17.05,-43.58,;18.59,-43.58,;16.28,-42.26,)|
Structure:
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