Reaction Details Report a problem with these data
Target
Thymidine kinase
Ligand
BDBM21875
Substrate
BDBM21867
Meas. Tech.
Thymidine Kinase Inhibition Assay
IC50
14000±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:
Human herpesvirus 2
Description:
n/a
Residue:
376
Sequence:
MASHAGQQHAPAFGQAARASGPTDGRAASRPSHRQGASEARGDPELPTLLRVYIDGPHGVGKTTTSAQLMEALGPRDNIVYVPEPMTYWQVLGASETLTNIYNTQHRLDRGEISAGEAAVVMTSAQITMSTPYAATDAVLAPHIGGEAVGPQAPPPALTLVFDRHPIASLLCYPAARYLMGSMTPQAVLAFVALMPPTAPGTNLVLGVLPEAEHADRLARRQRPGERLDLAMLSAIRRVYDLLANTVRYLQRGGRWREDWGRLTGVAAATPRPDPEDGAGSLPRIEDTLFALFRVPELLAPNGDLYHIFAWVLDVLADRLLPMHLFVLDYDQSPVGCRDALLRLTAGMIPTRVTTAGSIAEIRDLARTFAREVGGV
Inhibitor
Name:
BDBM21875
Synonyms:
2,9-disubstituted 6-oxopurine, 9 | 9-(4-methoxybutyl)-2-(phenylamino)-6,9-dihydro-3H-purin-6-one
Type:
Small organic molecule
Emp. Form.:
C16H19N5O2
Mol. Mass.:
313.3544
SMILES:
COCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O