Reaction Details
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Target
Thymidine kinase
Ligand
BDBM50101065
Substrate
n/a
Meas. Tech.
ChEBML_210614
IC50
8.4±n/a nM
Citation
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More Info.:
Target
Name:
Thymidine kinase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
40396.73
Organism:
Human herpesvirus 2
Description:
ChEMBL_474155
Residue:
376
Sequence:
MASHAGQQHAPAFGQAARASGPTDGRAASRPSHRQGASGARGDPELPTLLRVYIDGPHGVGKTTTSAQLMEALGPRDNIVYVPEPMTYWQVLGASETLTNIYNTQHRLDRGEISAGEAAVVMTSAQITMSTPYAATDAVLAPHIGGEAVGPQAPPPALTLVFDRHPIASLLCYPAARYLMGSMTPQAVLAFVALMPPTAPGTNLVLGVLPEAEHADRLARRQRPGERLDLAMLSAIRRVYDLLANTVRYLQRGGRWREDWGRLTGVAAATPRPDPEDGAGSLPRIEDTLFALFRVPELLAPNGDLYHIFAWVLDVLADRLLPMHLFVLDYDQSPVGCRDALLRLTAGMIPTRVTTAGSIAEIRDLARTFAREVGGV
Inhibitor
Name:
BDBM50101065
Synonyms:
2-(2,6-Dimethyl-phenyl)-N-[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-acetamide | CHEMBL415909
Type:
Small organic molecule
Emp. Form.:
C21H27N3O5
Mol. Mass.:
401.4562
SMILES:
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3c(C)cccc3C)O2)c(=O)[nH]c1=O