Brief Information of the Compound and Protein
Compound Name
 Compound Info 
6-N1N-(1-formylethyl)-2-aminoacetamide9-(4-aminobutyl)-15,18,30-tribenzyl-12-carbamoylmethyl-27,33-di(1-hydroxyethyl)-36-hydroxymethyl-7,10,13,16,19,22,25,28,31,34,37-undecaoxo-3,4-dithia-8,11,14,17,20,23,26,29,32,35,38-undecaazacyclooctatriacontane-1-carboxylic acid21-L-2-amino-3-(1H-3-indolyl)propanal24-4-fluoro-1-methylbenzene
    Show/Hide
 PubChem ID
CID: 73352970
Canonical SMILES
C[C@H](NC(=O)CN)C(=O)N[C@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O
    Show/Hide
Compound Formula C79H100FN17O19S2
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)  3
1
IC50 = 44 nM
   TI
   LI
   LO
   TS
2
IC50 = 1400 nM
   TI
   LI
   LO
   TS
3
IC50 = 3600 nM
   TI
   LI
   LO
   TS
CL000880 COS
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  2
1
IC50 = 2700 nM
   TI
   LI
   LO
   TS
2
IC50 = 8200 nM
   TI
   LI
   LO
   TS