Reaction Details Report a problem with these data
Target
Thymidine kinase
Ligand
BDBM50132291
Substrate
n/a
Meas. Tech.
ChEMBL_454748 (CHEMBL886771)
IC50
17000±n/a nM
Citation
 Ciliberti, N; Manfredini, S; Angusti, A; Durini, E; Solaroli, N; Vertuani, S; Buzzoni, L; Bonache, MC; Ben-Shalom, E; Karlsson, A; Saada, A; Balzarini, J Novel selective human mitochondrial kinase inhibitors: design, synthesis and enzymatic activity. Bioorg Med Chem 15:3065-81 (2007) [PubMed]  Article 
Target
Name:
Thymidine kinase
Synonyms:
KITH_VZVD | TK
Type:
PROTEIN
Mol. Mass.:
37819.99
Organism:
Varicella-zoster virus (strain Dumas) (HHV-3) (Human herpesvirus 3)
Description:
ChEMBL_444706
Residue:
341
Sequence:
MSTDKTDVKMGVLRIYLDGAYGIGKTTAAEEFLHHFAITPNRILLIGEPLSYWRNLAGEDAICGIYGTQTRRLNGDVSPEDAQRLTAHFQSLFCSPHAIMHAKISALMDTSTSDLVQVNKEPYKIMLSDRHPIASTICFPLSRYLVGDMSPAALPGLLFTLPAEPPGTNLVVCTVSLPSHLSRVSKRARPGETVNLPFVMVLRNVYIMLINTIIFLKTNNWHAGWNTLSFCNDVFKQKLQKSECIKLREVPGIEDTLFAVLKLPELCGEFGNILPLWAWGMETLSNCSRSMSPFVLSLEQTPQHAAQELKTLLPQMTPANMSSGAWNILKELVNAVQDNTS
  
Inhibitor
Name:
BDBM50132291
Synonyms:
1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione | 1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione | 1-((2R,3S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione | 1-(beta-D-arabinofuranosyl)thymine | 1-beta-D-arabinofuranosylthymine | CHEMBL103283
Type:
Small organic molecule
Emp. Form.:
C10H14N2O6
Mol. Mass.:
258.228
SMILES:
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O |r|
Structure:
Search PDB for entries with ligand similarity: