Brief Information of the Compound and Protein
Compound Name
 Compound Info 
((R)-2-((1H-indol-3-yl)methyl)-4-((5-(morpholinomethyl)-4,5-dihydroisoxazol-3-yl)methyl)piperazin-1-yl)(3,5-bis(trifluoromethyl)phenyl)methanone
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 PubChem ID
CID: 44408040
Canonical SMILES
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC2=NOC(CN3CCOCC3)C2)C[C@H]1Cc1c[nH]c2ccccc12
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Compound Formula C31H33F6N5O3
Compound Structure
Protein Name
 Protein Info 
Substance-P receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Neurokinin receptor
Uniprot ID
P25103
Gene Name
TACR1
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)  2
1
Kd = 0.631 nM
   TI
   LI
   LO
   TS
2
Ki = 2.512 nM
   TI
   LI
   LO
   TS