Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-[[(2S)-2-[(2S,3S)-2-[(2R)-2-amino-3-mercaptopropyl]amino]-3-methylpentyl]oxy]-1-oxo-3-phenylpropyl]-amino]-4-(methylsulfonyl)-butanoic acid 1-methylethyl ester
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 PubChem ID
CID: 6918276
SID: 14788447
Canonical SMILES
CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS
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Compound Formula C26H45N3O6S2
Compound Structure
Protein Name
 Protein Info 
Cytochrome P450 2D6
Protein Classification
Enzyme
>
Cytochrome P450
>
Cytochrome P450 family 2
>
Cytochrome P450 family 2D
>
Cytochrome P450 2D6
Uniprot ID
P10635
Gene Name
CYP2D6
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 700 nM
   TI
   LI
   LO
   TS