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Target
Thymidine kinase
Ligand
BDBM50035987
Substrate
n/a
Meas. Tech.
ChEMBL_208010 (CHEMBL816090)
IC50
4000±n/a nM
Citation
 Xu, H; Maga, G; Focher, F; Smith, ER; Spadari, S; Gambino, J; Wright, GE Synthesis, properties, and pharmacokinetic studies of N2-phenylguanine derivatives as inhibitors of herpes simplex virus thymidine kinases. J Med Chem 38:49-57 (1995) [PubMed]  Article 
Target
Name:
Thymidine kinase
Synonyms:
KITH_HHV1 | TK | UL23
Type:
PROTEIN
Mol. Mass.:
40902.47
Organism:
Human herpesvirus 1
Description:
ChEMBL_208027
Residue:
376
Sequence:
MASYPCHQHASAFDQAARSRGHSNRRTALRPRRQQEATEVRLEQKMPTLLRVYIDGPHGMGKTTTTQLLVALGSRDDIVYVPEPMTYWQVLGASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEAGSSHAPPPALTLIFDRHPIAALLCYPAARYLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQGGGSWREDWGQLSGTAVPPQGAEPQSNAGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWALDVLAKRLRPMHVFILDYDQSPAGCRDALLQLTSGMVQTHVTTPGSIPTICDLARTFAREMGEAN
  
Inhibitor
Name:
BDBM50035987
Synonyms:
9-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2-(3-trifluoromethyl-phenylamino)-1,9-dihydro-purin-6-one | CHEMBL152444
Type:
Small organic molecule
Emp. Form.:
C17H16F3N5O4
Mol. Mass.:
411.3352
SMILES:
OCC1OC(CC1O)n1cnc2c1nc(Nc1cccc(c1)C(F)(F)F)[nH]c2=O
Structure:
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