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Target
Thymidine kinase
Ligand
BDBM50200994
Substrate
n/a
Meas. Tech.
ChEMBL_422917 (CHEMBL908768)
IC50
17000±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
Synonyms:
KITH_HHV1 | TK | UL23
Type:
PROTEIN
Mol. Mass.:
40902.47
Organism:
Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1)
Description:
ChEMBL_474154
Residue:
376
Sequence:
MASYPCHQHASAFDQAARSRGHSNRRTALRPRRQQEATEVRLEQKMPTLLRVYIDGPHGMGKTTTTQLLVALGSRDDIVYVPEPMTYWQVLGASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEAGSSHAPPPALTLIFDRHPIAALLCYPAARYLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQGGGSWREDWGQLSGTAVPPQGAEPQSNAGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWALDVLAKRLRPMHVFILDYDQSPAGCRDALLQLTSGMVQTHVTTPGSIPTICDLARTFAREMGEAN
  
Inhibitor
Name:
BDBM50200994
Synonyms:
1-[2-(2-triphenylmethoxyethoxy)ethyl]thymine | CHEMBL219905
Type:
Small organic molecule
Emp. Form.:
C28H28N2O4
Mol. Mass.:
456.5329
SMILES:
Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
Structure:
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