Brief Information of the Compound and Protein
Compound Name
3-(2-tert-Butyl-5-methyl-phenylsulfanyl)-4-hydroxy-6-isopropyl-6-phenethyl-5,6-dihydro-pyran-2-one
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Canonical SMILES
Cc1ccc(C(C)(C)C)c(SC2=C(O)OC(CCc3ccccc3)(C(C)C)CC2=O)c1
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Compound Formula C27H34O3S
Compound Structure
Protein Name
Pol polyprotein
Protein Classification
Enzyme
>
Protease
>
Aspartic protease
>
Aspartic protease AA clan
>
Aspartic protease A2A subfamily
Uniprot ID
Q72874
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)  2
1
EC50 = 15000 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.1 nM
   TI
   LI
   LO
   TS