Reaction Details Report a problem with these data
Target
Thymidine kinase
Ligand
BDBM21885
Substrate
BDBM21867
Meas. Tech.
Thymidine Kinase Inhibition Assay
Ki
5±n/a nM
IC50
13±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
More Info.:
Target
Name:
Thymidine kinase
Synonyms:
KITH_HHV23 | TK
Type:
Transferase
Mol. Mass.:
40467.78
Organism:
HHV-2
Description:
n/a
Residue:
376
Sequence:
MASHAGQQHAPAFGQAARASGPTDGRAASRPSHRQGASEARGDPELPTLLRVYIDGPHGVGKTTTSAQLMEALGPRDNIVYVPEPMTYWQVLGASETLTNIYNTQHRLDRGEISAGEAAVVMTSAQITMSTPYAATDAVLAPHIGGEAVGPQAPPPALTLVFDRHPIASLLCYPAARYLMGSMTPQAVLAFVALMPPTAPGTNLVLGVLPEAEHADRLARRQRPGERLDLAMLSAIRRVYDLLANTVRYLQRGGRWREDWGRLTGVAAATPRPDPEDGAGSLPRIEDTLFALFRVPELLAPNGDLYHIFAWVLDVLADRLLPMHLFVLDYDQSPVGCRDALLRLTAGMIPTRVTTAGSIAEIRDLARTFAREVGGV
Inhibitor
Name:
BDBM21885
Synonyms:
2,9-disubstituted 6-oxopurine, 12i | 9-[4-(decahydroquinolin-1-yl)butyl]-2-(phenylamino)-6,9-dihydro-3H-purin-6-one dihydrochloride
Type:
Small organic molecule
Emp. Form.:
C24H32N6O
Mol. Mass.:
420.5505
SMILES:
O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCC4CCCCC34)cnc12