Target
Thymidine kinase
Ligand
BDBM50013076
Substrate
n/a
Meas. Tech.
ChEMBL_208025 (CHEMBL814153)
IC50
30200±n/a nM
Citation
 Gambino, JFocher, FHildebrand, CMaga, GNoonan, TSpadari, SWright, G Quantitative structure-activity relationships of N2-phenylguanines as inhibitors of herpes simplex virus thymidine kinases. J Med Chem 35:2979-83 (1992) [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:
BDBM50013076
Synonyms:
2-(4-Trifluoromethyl-phenylamino)-1,9-dihydro-purin-6-one | CHEMBL64473
Type:
Small organic molecule
Emp. Form.:
C12H8F3N5O
Mol. Mass.:
295.22
SMILES:
FC(F)(F)c1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1
Structure:
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