Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(5S,8S,11S,14S,17S,20S,23S,26S,29S,32S)-26,29-bis((1H-indol-3-yl)methyl)-32-((S)-1-((S)-2-(2-((S)-2-amino-3-methylbutanamido)acetamido)-5-guanidinopentanoyl)pyrrolidine-2-carboxamido)-14-(3-amino-3-oxopropyl)-11-(4-aminobutyl)-20-(carboxymethyl)-8-(3-guanidinopropyl)-5,17-bis(4-hydroxybenzyl)-23-(2-(methylthio)ethyl)-4,7,10,13,16,19,22,25,28,31-decaoxo-3,6,9,12,15,18,21,24,27,30-decaazapentatriacontane-1,35-dioic acid
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 PubChem ID
CID: 16158367
SID: 17487373
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O
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Compound Formula C91H127N25O23S
Compound Structure
Protein Name
 Protein Info 
Mas-related G-protein coupled receptor member X1
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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Neuropeptide receptor
Uniprot ID
Q8R4G1
Gene Name
MRGPRX1
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)  1
1
EC50 = 316.23 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 300 nM