Reaction Details Report a problem with these data
Target
Thymidine kinase
Ligand
BDBM21895
Substrate
BDBM21867
Meas. Tech.
Thymidine Kinase Inhibition Assay
IC50
200±n/a nM
Citation
 Manikowski, A; Verri, A; Lossani, A; Gebhardt, BM; Gambino, J; Focher, F; Spadari, S; Wright, GE Inhibition of herpes simplex virus thymidine kinases by 2-phenylamino-6-oxopurines and related compounds: structure-activity relationships and antiherpetic activity in vivo. J Med Chem 48:3919-29 (2005) [PubMed]  Article 
Target
Name:
Thymidine kinase
Synonyms:
KITH_HHV23 | TK
Type:
Transferase
Mol. Mass.:
40467.78
Organism:
Human herpesvirus 2
Description:
n/a
Residue:
376
Sequence:
MASHAGQQHAPAFGQAARASGPTDGRAASRPSHRQGASEARGDPELPTLLRVYIDGPHGVGKTTTSAQLMEALGPRDNIVYVPEPMTYWQVLGASETLTNIYNTQHRLDRGEISAGEAAVVMTSAQITMSTPYAATDAVLAPHIGGEAVGPQAPPPALTLVFDRHPIASLLCYPAARYLMGSMTPQAVLAFVALMPPTAPGTNLVLGVLPEAEHADRLARRQRPGERLDLAMLSAIRRVYDLLANTVRYLQRGGRWREDWGRLTGVAAATPRPDPEDGAGSLPRIEDTLFALFRVPELLAPNGDLYHIFAWVLDVLADRLLPMHLFVLDYDQSPVGCRDALLRLTAGMIPTRVTTAGSIAEIRDLARTFAREVGGV
  
Inhibitor
Name:
BDBM21895
Synonyms:
2,9-disubstituted 6-oxopurine, 12s | 9-(4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}butyl)-2-(phenylamino)-6,9-dihydro-3H-purin-6-one dihydrochloride
Type:
Small organic molecule
Emp. Form.:
C27H28ClF3N6O2
Mol. Mass.:
560.998
SMILES:
OC1(CCN(CCCCn2cnc3c2nc(Nc2ccccc2)[nH]c3=O)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM21867
Synonyms:
[3H-methyl]TdR | [3H]thymidine
Type:
radiolabeled ligand
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: