Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[[2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-N-[1-[[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylamino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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 PubChem ID
CID: 118731118
Canonical SMILES
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CN(C)C(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(N)Cc1c(C)cc(O)cc1C
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Compound Formula C39H48F6N8O5
Compound Structure
Protein Name
 Protein Info 
Substance-P receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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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)  1
1
Ki = 734 nM
   TI
   LI
   LO
   TS