Reaction Details Report a problem with these data
Target
Thymidine kinase 2, mitochondrial
Ligand
BDBM50206488
Substrate
n/a
Meas. Tech.
ChEMBL_627487 (CHEMBL1111773)
IC50
6300±n/a nM
Citation
Van Poecke, S; Negri, A; Gago, F; Van Daele, I; Solaroli, N; Karlsson, A; Balzarini, J; Van Calenbergh, S 3'-[4-Aryl-(1,2,3-triazol-1-yl)]-3'-deoxythymidine analogues as potent and selective inhibitors of human mitochondrial thymidine kinase. J Med Chem 53:2902-12 (2010) [PubMed] Article
More Info.:
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:
BDBM50206488
Synonyms:
(2R,3S,4R,5R)-2-(5-(2-bromovinyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl octanoate | 1-(2'-O-octanoyl-beta-D-arabinofuranosyl)-5(E)-(2-bromovinyl)uracil | CHEMBL238635
Type:
Small organic molecule
Emp. Form.:
C19H27BrN2O7
Mol. Mass.:
475.331
SMILES:
CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C=CBr)c(=O)[nH]c1=O |w:22.23|