Reaction Details Report a problem with these data
Target
Thymidine kinase 2, mitochondrial
Ligand
BDBM50201004
Substrate
n/a
Meas. Tech.
ChEMBL_422916 (CHEMBL908767)
IC50
1900±n/a nM
Citation
 Hernandez, AI; Familiar, O; Negri, A; Rodríguez-Barrios, F; Gago, F; Karlsson, A; Camarasa, MJ; Balzarini, J; Pérez-Pérez, MJ N1-substituted thymine derivatives as mitochondrial thymidine kinase (TK-2) inhibitors. J Med Chem 49:7766-73 (2006) [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:
BDBM50201004
Synonyms:
1-[6-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy]hexyl]thymine | CHEMBL219960
Type:
Small organic molecule
Emp. Form.:
C30H31ClN2O3
Mol. Mass.:
503.032
SMILES:
Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O
Structure:
Search PDB for entries with ligand similarity: