Brief Information of the Compound and Protein
Compound Name
 Compound Info 
US9546152, example 84
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 PubChem ID
CID: 74221903
Canonical SMILES
COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2nccc(C#N)c2C)c(SC)n1
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Compound Formula C21H24N4O3S
Compound Structure
Protein Name
 Protein Info 
Orexin/Hypocretin receptor type 1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
Orexin receptor
Uniprot ID
O43613
Gene Name
HCRTR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki = 2517 nM
   TI
   LI
   LO
   TS