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Target
Transketolase
Ligand
BDBM50230595
Substrate
n/a
Meas. Tech.
ChEMBL_461927 (CHEMBL944774)
EC50
32±n/a nM
Citation
 Le Huerou, Y; Gunawardana, I; Thomas, AA; Boyd, SA; de Meese, J; Dewolf, W; Gonzales, SS; Han, M; Hayter, L; Kaplan, T; Lemieux, C; Lee, P; Pheneger, J; Poch, G; Romoff, TT; Sullivan, F; Weiler, S; Wright, SK; Lin, J Prodrug thiamine analogs as inhibitors of the enzyme transketolase. Bioorg Med Chem Lett 18:505-8 (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:
BDBM50230595
Synonyms:
CHEMBL251888 | N-{2-[2-[acetyl-(2-amino-6-methyl-pyridin-3-ylmethyl)-amino]-1-(2-hydroxy-ethyl)-propenyldisulfanyl]-4-hydroxy-1-methyl-but-1-enyl}-N-(2-amino-6-methyl-pyridin-3-ylmethyl)-acetamide
Type:
Small organic molecule
Emp. Form.:
C28H40N6O4S2
Mol. Mass.:
588.785
SMILES:
CC(=O)N(Cc1ccc(C)nc1N)C(\C)=C(\CCO)SS\C(CCO)=C(\C)N(Cc1ccc(C)nc1N)C(C)=O
Structure:
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