Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(5S,8S,13S,Z)-13-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-5-benzyl-N-((6S,9S,12S,15S)-1,20-diamino-9-sec-butyl-6-((S)-2-((S)-1,6-diamino-1-oxohexan-2-ylcarbamoyl)pyrrolidine-1-carbonyl)-12-(3-guanidinopropyl)-1,20-diimino-8,11,14-trioxo-2,7,10,13,19-pentaazaicosan-15-yl)-3,6,14-trioxo-1,4,7-triazacyclotetradec-10-ene-8-carboxamide
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 PubChem ID
CID: 44254581
SID: 85289300
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
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Compound Formula C63H100N22O12
Compound Structure
Protein Name
 Protein Info 
Kappa-type opioid receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
Opioid receptor
Uniprot ID
P34975
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
EC50 = 190 nM
   TI
   LI
   LO
   TS
2
Ki = 87.2 nM
   TI
   LI
   LO
   TS