Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamido)-N-((S)-2-(2-((3,5-bis(trifluoromethyl)benzyl)(methyl)amino)-2-oxoethyl)-3-oxo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl)-5-guanidinopentanamide
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 PubChem ID
CID: 52937467
SID: 123077493
Canonical SMILES
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)CN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O
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Compound Formula C39H46F6N8O5
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)
>
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 = 15.85 nM
   TI
   LI
   LO
   TS
2
Ki = 0.5 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 7.8 nM
   TI
   LI
   LO
   TS