Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-[4-(3,4-dichlorophenyl)-3-[3,5-di(trifluoromethyl)phenyl(methyl)carboxamido]-(E,3R)-1-butenylcarboxamido]-2-oxo-(3R)-azepane
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 PubChem ID
CID: 9939040
SID: 14912234
Canonical SMILES
CN([C@H](Cc1ccc(Cl)c(Cl)c1)\C=C\C(=O)N[C@@H]1CCCCNC1=O)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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Compound Formula C27H25Cl2F6N3O3
Compound Structure
Protein Name
 Protein Info 
Substance-K receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
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Neurokinin receptor
Uniprot ID
P21452
Gene Name
TACR2
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
IC50 = 5.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 9.55 nM