Brief Information of the Compound and Protein
Compound Name
4-[4-[(R)-[2-(4-cyanoanilino)pyrimidin-4-yl]-hydroxymethyl]-3,5-difluorophenyl]benzonitrile
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Canonical SMILES
O[C@@H](c1ccnc(Nc2ccc(cc2)C#N)n1)c1c(F)cc(cc1F)-c1ccc(cc1)C#N
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Compound Formula C25H15F2N5O
Compound Structure
Protein Name
Reverse transcriptase
Protein Classification
Enzyme
Uniprot ID
Q9WKE8
Gene Name
REVERSE TRANSCRIPTASE
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 = 54.6 nM
   TI
   LI
   LO
   TS
2
EC50 = 364.1 nM
   TI
   LI
   LO
   TS
3
EC50 = 432.4 nM
   TI
   LI
   LO
   TS
4
EC50 = 1433.7 nM
   TI
   LI
   LO
   TS
5
EC50 = 5939.5 nM
   TI
   LI
   LO
   TS