Brief Information of the Compound and Protein
Compound Name
(6R,9S,12S,15R,18S,21S,24S,27S)-12-((1H-imidazol-5-yl)methyl)-21-((1H-indol-3-yl)methyl)-27-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-9-benzyl-24-butyl-18-(3-guanidinopropyl)-1-(4-hydroxy-2,6-dimethylphenyl)-6-methyl-15-(naphthalen-2-ylmethyl)-4,7,10,13,16,19,22,25-octaoxo-3,5,8,11,14,17,20,23,26-nonaazanonacosan-29-oic acid
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PubChem ID
CID: 49798114
Canonical SMILES
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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Compound Formula C78H95N17O13
Compound Structure
Protein Name
Delta-type opioid receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
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
CL000661 HN9.10e Mus musculus (Mouse)  2
1
IC50 = 7.943 nM
   TI
   LI
   LO
   TS
2
Ki = 3.7 nM
   TI
   LI
   LO
   TS