Brief Information of the Compound and Protein
Compound Name
2-[(1R,4S,7S,13R,16R,19R,22R,25S,28R,31S,37S,40S,46S)-19,22,46-tribenzyl-4-[(2S)-butan-2-yl]-16-butyl-13,31-bis(3-carbamimidamidopropyl)-25-[(1R)-1-hydroxyethyl]-3,6,12,15,18,21,24,27,30,33,36,39,45,48-tetradecaoxo-50,51-dithia-2,5,11,14,17,20,23,26,29,32,35,38,44,47-tetradecazatetracyclo[26.20.4.07,11.040,44]dopentacontan-37-yl]acetic acid
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PubChem ID
CID: 166626397
Canonical SMILES
CCCC[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CCCNC(N)=N)NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)[C@@H](C)O
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Compound Formula C77H110N20O17S2
Compound Structure
Protein Name
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 Homo sapiens (Human)  1
1
EC50 = 1500 nM
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