Brief Information of the Compound and Protein
Compound Name
(5R,8S,11S,14S,17S,20S)-11-((1H-imidazol-4-yl)methyl)-20-((2R)-1-amino-3-(2,5-dioxo-1-(3-palmitamidopropyl)pyrrolidin-3-ylthio)-1-oxopropan-2-ylcarbamoyl)-5-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-8-benzyl-14-isobutyl-17-(2-(methylthio)ethyl)-6,9,12,15,18-pentaoxo-2-thia-7,10,13,16,19-pentaazadocosan-22-oic acid
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Canonical SMILES
CCCCCCCCCCCCCCCC(=O)NCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(N)=O)C1=O
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Compound Formula C70H107N13O14S3
Compound Structure
Protein Name
Delta-type opioid receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Opioid receptor
Uniprot ID
P41143
Gene Name
OPRD1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000004 SH-SY5Y Homo sapiens (Human)  2
1
EC50 = 2.042 nM
   TI
   LI
   LO
   TS
2
EC50 = 22.39 nM
   TI
   LI
   LO
   TS