Brief Information of the Compound and Protein
Compound Name
 Compound Info 
13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid
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 PubChem ID
CID: 44299404
Canonical SMILES
CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
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Compound Formula C30H39N5O7S2
Compound Structure
Protein Name
 Protein Info 
Delta-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
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
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  7
1
EC50 = 1.3 nM
   TI
   LI
   LO
   TS
2
EC50 = 15.85 nM
   TI
   LI
   LO
   TS
3
Ki = 1.24 nM
   TI
   LI
   LO
   TS
4
Ki = 1.39 nM
   TI
   LI
   LO
   TS
5
Ki = 1.7 nM
   TI
   LI
   LO
   TS
6
Ki = 1.77 nM
   TI
   LI
   LO
   TS
7
Ki = 2.2 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  9
1
EC50 = 0.14 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.557 nM
   TI
   LI
   LO
   TS
3
EC50 = 15 nM
   TI
   LI
   LO
   TS
4
ED50 = 6.81 nM
   TI
   LI
   LO
   TS
5
IC50 = 0.9 nM
   TI
   LI
   LO
   TS
6
IC50 = 1.12 nM
   TI
   LI
   LO
   TS
7
IC50 = 1.2 nM
   TI
   LI
   LO
   TS
8
Ki = 1.41 nM
   TI
   LI
   LO
   TS
9
Ki = 3.3 nM
   TI
   LI
   LO
   TS
CL000661 HN9.10e
 Cell Line Info 
Mus musculus (Mouse)  1
1
Ki = 1.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.8 nM
2 IC50 = 3.5 nM
3 IC50 = 10 nM
4 Ki = 0.5 nM
5 Ki = 2.2 nM
6 Ki = 2.9 nM