Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-1-(2-Nitro-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-amide
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 PubChem ID
CID: 10721590
SID: 15756755
Canonical SMILES
CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1/C(S)=N/Cc1ccccc1[N+](=O)[O-]
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Compound Formula C30H33N5O4S
Compound Structure
Protein Name
 Protein Info 
Substance-P receptor
Protein Classification
Membrane receptor
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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
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
Ki = 77.6 nM
   TI
   LI
   LO
   TS