Reaction Details Report a problem with these data
Target
Thymidine kinase
Ligand
BDBM21894
Substrate
BDBM21867
Meas. Tech.
Thymidine Kinase Inhibition Assay
IC50
220±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:
BDBM21894
Synonyms:
1-{4-[6-oxo-2-(phenylamino)-6,9-dihydro-3H-purin-9-yl]butyl}-4-phenylpiperidine-4-carbonitrile dihydrochloride | 2,9-disubstituted 6-oxopurine, 12r
Type:
Small organic molecule
Emp. Form.:
C27H29N7O
Mol. Mass.:
467.5655
SMILES:
O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCC(CC3)(C#N)c3ccccc3)cnc12
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: