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Target
Thymidine kinase
Ligand
BDBM50100408
Substrate
n/a
Meas. Tech.
ChEBML_207842
IC50
>1000000±n/a nM
Citation
 Manfredini, S; Baraldi, PG; Durini, E; Porcu, L; Angusti, A; Vertuani, S; Solaroli, N; De Clercq, E; Karlsson, A; Balzarini, J Design, synthesis and enzymatic activity of highly selective human mitochondrial thymidine kinase inhibitors. Bioorg Med Chem Lett 11:1329-32 (2001) [PubMed]  Article 
Target
Name:
Thymidine kinase
Synonyms:
KITH_HHV1S | TK | Thymidine kinase | UL23
Type:
PROTEIN
Mol. Mass.:
40883.42
Organism:
Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1)
Description:
ChEMBL_213
Residue:
376
Sequence:
MASYPGHQHASAFDQAARSRGHSNRRTALRPRRQQEATEVRPEQKMPTLLRVYIDGPHGMGKTTTTQLLVALGSRDDIVYVPEPMTYWRVLGASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEAGSSHAPPPALTLIFDRHPIAALLCYPAARYLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQGGGSWREDWGQLSGTAVPPQGAEPQSNAGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWALDVLAKRLRPMHVFILDYDQSPAGCRDALLQLTSGMIQTHVTTPGSIPTICDLARTFAREMGEAN
  
Inhibitor
Name:
BDBM50100408
Synonyms:
4-Amino-1-(4-hydroxy-5-hydroxymethyl-3-octyloxy-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one | CHEMBL3143823
Type:
Small organic molecule
Emp. Form.:
C17H29N3O5
Mol. Mass.:
355.4293
SMILES:
CCCCCCCCO[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O |r|
Structure:
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