Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-[3-[(1R,4S,7S,13S,16S,19S,22S,25R,28S,37S,40S,43S,46S)-16,22-bis(4-aminobutyl)-37-benzyl-4-[(2S)-butan-2-yl]-7,43-bis(3-carbamimidamidopropyl)-28-[(4-hydroxyphenyl)methyl]-19,40-bis(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,38,41,44,47-pentadecaoxo-50,51-dithia-3,6,9,15,18,21,24,27,30,33,36,39,42,45,48-pentadecazatricyclo[23.23.4.09,13]dopentacontan-46-yl]propyl]guanidine
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 PubChem ID
CID: 166630746
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(N)=N)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)N2
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Compound Formula C81H132N26O16S2
Compound Structure
Protein Name
 Protein Info 
Kappa-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
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)  2
1
EC50 = 45 nM
   TI
   LI
   LO
   TS
2
EC50 = 1400 nM
   TI
   LI
   LO
   TS