Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-((S)-6-chloro-1'-((3S,4R)-4-(2,4-difluorophenyl)-1-(pentan-3-yl)pyrrolidine-3-carbonyl)-5-methyl-3H-spiro[isobenzofuran-1,4'-piperidine]-3-yl)-2-methylpropanenitrile
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 PubChem ID
CID: 49862739
Canonical SMILES
CCC(CC)N1C[C@H]([C@@H](C1)c1ccc(F)cc1F)C(=O)N1CCC2(CC1)O[C@@H](c1cc(C)c(Cl)cc21)C(C)(C)C#N
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Compound Formula C33H40ClF2N3O2
Compound Structure
Protein Name
 Protein Info 
Melatonin receptor type 1B
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Monoamine-derivative receptor (family A GPCR)
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Melatonin receptor
Uniprot ID
P49286
Gene Name
MTNR1B
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)  1
1
EC50 = 465 nM
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