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Target
Transketolase
Ligand
BDBM50230600
Substrate
n/a
Meas. Tech.
ChEMBL_468405 (CHEMBL934305)
EC50
26±n/a nM
Citation
Thomas, AA; Le Huerou, Y; De Meese, J; Gunawardana, I; Kaplan, T; Romoff, TT; Gonzales, SS; Condroski, K; Boyd, SA; Ballard, J; Bernat, B; DeWolf, W; Han, M; Lee, P; Lemieux, C; Pedersen, R; Pheneger, J; Poch, G; Smith, D; Sullivan, F; Weiler, S; Wright, SK; Lin, J; Brandhuber, B; Vigers, G Synthesis, in vitro and in vivo activity of thiamine antagonist transketolase inhibitors. Bioorg Med Chem Lett 18:2206-10 (2008) [PubMed] Article
More Info.:
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:
BDBM50230600
Synonyms:
3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium; chloride | 3-(6-methyl-2-amino-pyridin-3-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-thiazol-3-ium chloride | CHEMBL252086
Type:
Small organic molecule
Emp. Form.:
C13H18N3OS
Mol. Mass.:
264.366
SMILES:
Cc1c(CCO)sc[n+]1Cc1ccc(C)nc1N