Brief Information of the Compound and Protein
Compound Name
3,5-dimethyl-4-[2-[[1-[(1-methylsulfonylimidazol-4-yl)methyl]piperidin-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]oxybenzonitrile
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PubChem ID
CID: 145993855
Canonical SMILES
Cc1cc(cc(C)c1Oc1nc(NC2CCN(Cc3cn(cn3)S(C)(=O)=O)CC2)nc2ccsc12)C#N
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Compound Formula C25H27N7O3S2
Compound Structure
Protein Name
Reverse transcriptase/RNaseH
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
Q72547
Gene Name
POL
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000247 MT-4 Homo sapiens (Human)  5
1
EC50 = 4.46 nM
   TI
   LI
   LO
   TS
2
EC50 = 5.67 nM
   TI
   LI
   LO
   TS
3
EC50 = 13.4 nM
   TI
   LI
   LO
   TS
4
EC50 = 2703 nM
   TI
   LI
   LO
   TS
5
IC50 = 53 nM
   TI
   LI
   LO
   TS