Brief Information of the Compound and Protein
Compound Name
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(cyclohexyloxy)(4-hydroxybenzene)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate
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PubChem ID
CID: 6321055
SID: 17398317
Canonical SMILES
O[C@H](CN(OC1CCCCC1)S(=O)(=O)c1ccc(O)cc1)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12
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Compound Formula C29H38N2O9S
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)  3
1
IC50 = 5 nM
   TI
   LI
   LO
   TS
2
IC50 = 44 nM
   TI
   LI
   LO
   TS
3
IC50 = 117 nM
   TI
   LI
   LO
   TS