Brief Information of the Compound and Protein
Compound Name
methyl (2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylpropanoyl]-prop-2-enylamino]acetyl]amino]pentanoyl]amino]butanoate
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PubChem ID
CID: 5481004
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)CN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
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Compound Formula C34H53N5O8
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
CL000108 CCRF-CEM Homo sapiens (Human)  1
1
IC50 = 54104.84519 nM
   TI
   LI
   LO
   TS