Reaction Details
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Target
Thymidine kinase
Ligand
BDBM50101053
Substrate
n/a
Meas. Tech.
ChEBML_210614
IC50
0.130000±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:
BDBM50101053
Synonyms:
9H-Xanthene-9-carboxylic acid [(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]-amide | CHEMBL47089
Type:
Small organic molecule
Emp. Form.:
C25H25N3O6
Mol. Mass.:
463.4825
SMILES:
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4Oc4ccccc34)O2)c(=O)[nH]c1=O