Reaction Details Report a problem with these data
Target
Transketolase
Ligand
BDBM50230602
Substrate
n/a
Meas. Tech.
ChEMBL_461927 (CHEMBL944774)
EC50
101870±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
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:
BDBM50230602
Synonyms:
CHEMBL252085 | N-(2-amino-6-methyl-pyridin-3-ylmethyl)-N-(2-{1-[1-[(2-amino-6-methyl-pyridin-3-ylmethyl)-formyl-amino]-meth-(Z)-ylidene]-3-hydroxy-propyldisulfanyl}-4-hydroxy-but-1-enyl)-formamide
Type:
Small organic molecule
Emp. Form.:
C24H32N6O4S2
Mol. Mass.:
532.679
SMILES:
Cc1ccc(CN(C=O)\C=C(\CCO)SS\C(CCO)=C/N(Cc2ccc(C)nc2N)C=O)c(N)n1