Reaction Details Report a problem with these data
Target
Thymidine kinase 2, mitochondrial
Ligand
BDBM50100412
Substrate
n/a
Meas. Tech.
ChEBML_208210
IC50
27000±n/a nM
Citation
 Manfredini, S; Baraldi, PG; Durini, E; Porcu, L; Angusti, A; Vertuani, S; Solaroli, N; De Clercq, E; Karlsson, A; Balzarini, J Design, synthesis and enzymatic activity of highly selective human mitochondrial thymidine kinase inhibitors. Bioorg Med Chem Lett 11:1329-32 (2001) [PubMed]  Article 
Target
Name:
Thymidine kinase 2, mitochondrial
Synonyms:
KITM_HUMAN | TK2 | Thymidine kinase, mitochondrial
Type:
PROTEIN
Mol. Mass.:
31013.50
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1333885
Residue:
265
Sequence:
MLLWPLRGWAARALRCFGPGSRGSPASGPGPRRVQRRAWPPDKEQEKEKKSVICVEGNIASGKTTCLEFFSNATDVEVLTEPVSKWRNVRGHNPLGLMYHDASRWGLTLQTYVQLTMLDRHTRPQVSSVRLMERSIHSARYIFVENLYRSGKMPEVDYVVLSEWFDWILRNMDVSVDLIVYLRTNPETCYQRLKKRCREEEKVIPLEYLEAIHHLHEEWLIKGSLFPMAAPVLVIEADHHMERMLELFEQNRDRILTPENRKHCP
  
Inhibitor
Name:
BDBM50100412
Synonyms:
BDBM50206505 | CHEMBL392957 | Dodecanoic acid 4-hydroxy-5-hydroxymethyl-2-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester
Type:
Small organic molecule
Emp. Form.:
C20H32N2O7
Mol. Mass.:
412.4773
SMILES:
CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O
Structure:
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