Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[(4S)-2-(3-amino-3-oxopropyl)-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]-5-(diaminomethylideneamino)pentanamide
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 PubChem ID
CID: 118731120
Canonical SMILES
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(N)=O)C1=O
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Compound Formula C30H42N8O5
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
P41145
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 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki = 16.6 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 29.9 nM
   TI
   LI
   LO
   TS