Brief Information of the Compound and Protein
Compound Name
(3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanehydrazido]-1-oxo-3-phenylpropan-2-yl]carbamoyl}-3-[(2S)-2-[(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-2-yl)propanamido]hexanamido]propanoic acid
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PubChem ID
CID: 44418923
Canonical SMILES
CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
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Compound Formula C58H73N11O13
Compound Structure
Protein Name
Delta-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
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 74 nM
   TI
   LI
   LO
   TS
2
IC50 = 74.13 nM
   TI
   LI
   LO
   TS
CL000661 HN9.10e Mus musculus (Mouse)  2
1
IC50 = 93.33 nM
   TI
   LI
   LO
   TS
2
Ki = 45 nM
   TI
   LI
   LO
   TS