Brief Information of the Compound and Protein
Compound Name
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-carboxamide
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PubChem ID
CID: 11555955
SID: 16658125
Canonical SMILES
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)OC(=O)Nc3ccccc43)C(=O)N(CC(F)(F)F)C2)c1F
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Compound Formula C27H27F5N4O4
Compound Structure
Protein Name
Calcitonin gene-related peptide type 1 receptor
Protein Classification
Membrane receptor
>
Family B G protein-coupled receptor
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Peptide receptor (family B GPCR)
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Calcitonin-like receptor
>
Calcitonin gene-related peptide receptor
Uniprot ID
Q16602
Gene Name
CALCRL
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
IC50 = 60 nM
   TI
   LI
   LO
   TS
2
IC50 = 792 nM
   TI
   LI
   LO
   TS
3
Ki = 46 nM
   TI
   LI
   LO
   TS