Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S)-3-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3S)-3-(2,2-dimethylpropyl)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
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 PubChem ID
CID: 54597799
SID: 131406545
Canonical SMILES
CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CC[C@H](CC(C)(C)C)[C@H]1C(=O)N[C@H]1CC(=O)OC1O
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Compound Formula C30H49N5O10
Compound Structure
Protein Name
 Protein Info 
Caspase-3
Protein Classification
Enzyme
>
Protease
>
Cysteine protease
>
Cysteine protease CD clan
>
Cysteine protease C14 family
Uniprot ID
P42574
Gene Name
CASP3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 78350 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2925 nM