Brief Information of the Compound and Protein
Compound Name
methyl N-[(2S)-1-[(2S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
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PubChem ID
CID: 132176509
Canonical SMILES
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)COc2cc4c(ccc5nc([C@@H]6CC[C@H](C)N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)cc2-3)[nH]1)C(C)C
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Compound Formula C44H52N8O7
Compound Structure
Protein Name
Nonstructural protein 5A
Protein Classification
Unclassified protein
Uniprot ID
Q5L478
Gene Name
NS5A
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000148 Huh-7 Homo sapiens (Human)  6
1
EC50 = 0.011 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.018 nM
   TI
   LI
   LO
   TS
3
EC50 = 0.019 nM
   TI
   LI
   LO
   TS
4
EC50 = 0.02 nM
   TI
   LI
   LO
   TS
5
EC50 = 0.077 nM
   TI
   LI
   LO
   TS
6
EC50 = 0.234 nM
   TI
   LI
   LO
   TS