Brief Information of the Compound and Protein
Compound Name
1-{3-[Cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-2H-cycloocta[b]pyran-3-yl)-methyl]-phenyl}-3-phenyl-urea
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Canonical SMILES
O=C(Nc1ccccc1)Nc1cccc(C(c2c(O)oc3c(c2=O)CCCCCC3)C2CC2)c1
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Compound Formula C28H30N2O4
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
CL000394 H9 Homo sapiens (Human)  1
1
IC50 = 21700 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 450 nM