Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-[3-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,37S,40S,43S,46S,55S)-25-(4-aminobutyl)-46-benzyl-4,19,34-tris[(2S)-butan-2-yl]-37-(3-carbamimidamidopropyl)-28-[(1R)-1-hydroxyethyl]-22-(hydroxymethyl)-55-[(4-hydroxyphenyl)methyl]-43-(2-methylpropyl)-3,6,12,18,21,24,27,30,33,36,39,42,45,48,51,54,57-heptadecaoxo-59,60-dithia-2,5,11,17,20,23,26,29,32,35,38,41,44,47,50,53,56-heptadecazatetracyclo[29.26.4.07,11.013,17]henhexacontan-40-yl]propyl]guanidine
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 PubChem ID
CID: 166632781
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2)[C@@H](C)O)[C@@H](C)CC
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Compound Formula C87H138N24O20S2
Compound Structure
Protein Name
 Protein Info 
Kappa-type opioid receptor
Protein Classification
Membrane receptor
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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
P33534
Gene Name
OPRK1
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
EC50 = 4700 nM
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