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Target
Transketolase
Ligand
BDBM50373880
Substrate
n/a
Meas. Tech.
ChEMBL_468615 (CHEMBL947912)
EC50
3240±n/a nM
Citation
 Thomas, AA; De Meese, J; Le Huerou, Y; Boyd, SA; Romoff, TT; Gonzales, SS; Gunawardana, I; Kaplan, T; Sullivan, F; Condroski, K; Lyssikatos, JP; Aicher, TD; Ballard, J; Bernat, B; DeWolf, W; Han, M; Lemieux, C; Smith, D; Weiler, S; Wright, SK; Vigers, G; Brandhuber, B Non-charged thiamine analogs as inhibitors of enzyme transketolase. Bioorg Med Chem Lett 18:509-12 (2008) [PubMed]  Article 
Target
Name:
Transketolase
Synonyms:
TK | TKT | TKT_HUMAN
Type:
PROTEIN
Mol. Mass.:
67886.43
Organism:
Homo sapiens (Human)
Description:
ChEMBL_468615
Residue:
623
Sequence:
MESYHKPDQQKLQALKDTANRLRISSIQATTAAGSGHPTSCCSAAEIMAVLFFHTMRYKSQDPRNPHNDRFVLSKGHAAPILYAVWAEAGFLAEAELLNLRKISSDLDGHPVPKQAFTDVATGSLGQGLGAACGMAYTGKYFDKASYRVYCLLGDGELSEGSVWEAMAFASIYKLDNLVAILDINRLGQSDPAPLQHQMDIYQKRCEAFGWHAIIVDGHSVEELCKAFGQAKHQPTAIIAKTFKGRGITGVEDKESWHGKPLPKNMAEQIIQEIYSQIQSKKKILATPPQEDAPSVDIANIRMPSLPSYKVGDKIATRKAYGQALAKLGHASDRIIALDGDTKNSTFSEIFKKEHPDRFIECYIAEQNMVSIAVGCATRNRTVPFCSTFAAFFTRAFDQIRMAAISESNINLCGSHCGVSIGEDGPSQMALEDLAMFRSVPTSTVFYPSDGVATEKAVELAANTKGICFIRTSRPENAIIYNNNEDFQVGQAKVVLKSKDDQVTVIGAGVTLHEALAAAELLKKEKINIRVLDPFTIKPLDRKLILDSARATKGRILTVEDHYYEGGIGEAVSSAVVGEPGITVTHLAVNRVPRSGKPAELLKMFGIDRDAIAQAVRGLITKA
  
Inhibitor
Name:
BDBM50373880
Synonyms:
CHEMBL402764
Type:
Small organic molecule
Emp. Form.:
C13H17N3O2S
Mol. Mass.:
279.358
SMILES:
Cc1c(CCO)sc(=O)n1Cc1ccc(C)nc1N
Structure:
Search PDB for entries with ligand similarity: