Brief Information of the Compound and Protein
Compound Name
(E)-3-[3,5-dimethyl-4-[2-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]anilino]thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enenitrile
    Show/Hide
Canonical SMILES
Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(CN3CCN(CC3)S(C)(=O)=O)cc2)nc2sccc12
    Show/Hide
Compound Formula C29H30N6O3S2
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 nM
   TI
   LI
   LO
   TS
2
EC50 = 162 nM
   TI
   LI
   LO
   TS
3
EC50 = 387 nM
   TI
   LI
   LO
   TS
4
EC50 = 1638 nM
   TI
   LI
   LO
   TS
5
EC50 = 9414 nM
   TI
   LI
   LO
   TS