Reaction Details Report a problem with these data
Target
Transketolase
Ligand
BDBM50373725
Substrate
n/a
Meas. Tech.
ChEMBL_468404 (CHEMBL934304)
Kd
28±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:
BDBM50373725
Synonyms:
CHEMBL258077
Type:
Small organic molecule
Emp. Form.:
C13H18N3O2S
Mol. Mass.:
280.365
SMILES:
Cc1c(sc[n+]1Cc1ccc(C)nc1N)[C@H](O)CO
Structure:
Search PDB for entries with ligand similarity: