Brief Information of the Compound and Protein
Compound Name
(E)-3-[3,5-dimethyl-4-[2-[4-(4-methylsulfonylpiperazin-1-yl)anilino]thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]prop-2-enenitrile
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Canonical SMILES
Cc1cc(\C=C\C#N)cc(C)c1Oc1nc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)nc2sccc12
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Compound Formula C28H28N6O3S2
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 = 219 nM
   TI
   LI
   LO
   TS
2
EC50 = 405 nM
   TI
   LI
   LO
   TS
3
EC50 = 1952 nM
   TI
   LI
   LO
   TS
4
EC50 = 3322 nM
   TI
   LI
   LO
   TS
5
EC50 = 68430 nM
   TI
   LI
   LO
   TS