Reaction Details Report a problem with these data
Target
Transketolase
Ligand
BDBM50230596
Substrate
n/a
Meas. Tech.
ChEMBL_468404 (CHEMBL934304)
Kd
29±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 
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:
BDBM50230596
Synonyms:
3-(2-amino-6-methyl-pyridin-3-ylmethyl)-5-(2-hydroxy-ethyl)-thiazol-3-ium; chloride | CHEMBL252842 | CHEMBL256454
Type:
Small organic molecule
Emp. Form.:
C12H16N3OS
Mol. Mass.:
250.339
SMILES:
Cc1ccc(C[n+]2csc(CCO)c2)c(N)n1
Structure:
Search PDB for entries with ligand similarity: