Brief Information of the Compound and Protein
Compound Name
US9546152, example 2
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PubChem ID
CID: 74222159
Canonical SMILES
COc1ccc(C(=O)N2C[C@@H](CC[C@H]2C)Oc2nccc(C#N)c2C)c(n1)-n1nccn1
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Compound Formula C22H23N7O3
Compound Structure
Protein Name
Orexin receptor type 2
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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Orexin receptor
Uniprot ID
O43614
Gene Name
HCRTR2
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 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 21 nM
   TI
   LI
   LO
   TS
2
Ki = 3 nM
   TI
   LI
   LO
   TS