Reaction Details Report a problem with these data
Target
Thymidine kinase
Ligand
BDBM50013096
Substrate
n/a
Meas. Tech.
ChEBML_208031
IC50
2200±n/a nM
Citation
 Hildebrand, C; Sandoli, D; Focher, F; Gambino, J; Ciarrocchi, G; Spadari, S; Wright, G Structure-activity relationships of N2-substituted guanines as inhibitors of HSV1 and HSV2 thymidine kinases. J Med Chem 33:203-6 (1990) [PubMed]  Article 
Target
Name:
Thymidine kinase
Synonyms:
KITH_HHV1S | TK | Thymidine kinase | UL23
Type:
PROTEIN
Mol. Mass.:
40883.42
Organism:
HHV-1
Description:
ChEMBL_213
Residue:
376
Sequence:
MASYPGHQHASAFDQAARSRGHSNRRTALRPRRQQEATEVRPEQKMPTLLRVYIDGPHGMGKTTTTQLLVALGSRDDIVYVPEPMTYWRVLGASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEAGSSHAPPPALTLIFDRHPIAALLCYPAARYLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQGGGSWREDWGQLSGTAVPPQGAEPQSNAGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWALDVLAKRLRPMHVFILDYDQSPAGCRDALLQLTSGMIQTHVTTPGSIPTICDLARTFAREMGEAN
  
Inhibitor
Name:
BDBM50013096
Synonyms:
2-(3,4-Difluoro-phenylamino)-1,9-dihydro-purin-6-one | CHEMBL299415
Type:
Small organic molecule
Emp. Form.:
C11H7F2N5O
Mol. Mass.:
263.203
SMILES:
Fc1ccc(Nc2nc3nc[nH]c3c(=O)[nH]2)cc1F
Structure:
Search PDB for entries with ligand similarity: