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Target
Thymidine kinase
Ligand
BDBM50180316
Substrate
n/a
Meas. Tech.
ChEMBL_444706 (CHEMBL894947)
IC50
217000±n/a nM
Citation
 Robins, MJ; Nowak, I; Rajwanshi, VK; Miranda, K; Cannon, JF; Peterson, MA; Andrei, G; Snoeck, R; De Clercq, E; Balzarini, J Synthesis and antiviral evaluation of 6-(alkyl-heteroaryl)furo[2,3-d]pyrimidin-2(3H)-one nucleosides and analogues with ethynyl, ethenyl, and ethyl spacers at C6 of the furopyrimidine core. J Med Chem 50:3897-905 (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:
BDBM50180316
Synonyms:
3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-decyn-1-yl)furo[2,3-d]pyrimidine-2(3H)-one | 6-(dec-1-yn-1-yl)3-(2-deoxy-beta-D-erythro-pentofuranosyl)furo[2,3-d]pyrimidin-2(3H)-one | CHEMBL201494
Type:
Small organic molecule
Emp. Form.:
C21H28N2O5
Mol. Mass.:
388.4574
SMILES:
CCCCCCCCC#Cc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Structure:
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