Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[(2S)-2-(hydroxymethyl)-4-methylsulfonylpiperazin-1-yl]pyridin-3-yl]-N,2-dimethylpropanamide
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 PubChem ID
CID: 71452185
Canonical SMILES
CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCN(C[C@H]1CO)S(C)(=O)=O
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Compound Formula C31H33F7N4O4S
Compound Structure
Protein Name
 Protein Info 
Substance-P 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
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
Kd = 16.98 nM
   TI
   LI
   LO
   TS
2
Ki = 0.7 nM
   TI
   LI
   LO
   TS
3
Ki = 1.3 nM
   TI
   LI
   LO
   TS