Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S,6S,9S,39S,42S,45S,48S,51S,55S,58S,61S,64S,67S,70S,73S,76S,82S,85S,89S,93S,96S,99S,102S,105S,108S,111S,114S,117S,120S,126S)-58-((1H-indol-3-yl)methyl)-126-((S)-2-acetamido-4-methylpentanamido)-39,67,96-tris(5-acetamidopentyl)-3-((S)-1-amino-1,5-dioxodocosan-4-ylcarbamoyl)-9,42,45,70,99,111-hexakis(4-aminobutyl)-93-sec-butyl-73-butyl-6,82,114,120-tetrakis(2-carboxyethyl)-48,105,117-tris(3-guanidinopropyl)-61-((R)-1-hydroxyethyl)-55,64-bis(hydroxymethyl)-108-isopropyl-51,85,89,102-tetramethyl-76-(2-(methylthio)ethyl)-5,8,11,20,29,38,41,44,47,50,54,57,60,63,66,69,72,75,78,81,84,88,92,95,98,101,104,107,110,113,116,119,122,125-tetratriacontaoxo-13,16,22,25,31,34-hexaoxa-4,7,10,19,28,37,40,43,46,49,53,56,59,62,65,68,71,74,77,80,83,87,91,94,97,100,103,106,109,112,115,118,121,124-tetratriacontaazaoctacosahectane-1,128-dicarboxylic acid
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 PubChem ID
CID: 162672427
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)[C@H](CCSC)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)CNC(=O)[C@@H](C)CNC(=O)[C@@H](NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O
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Compound Formula C221H387N57O63S
Compound Structure
Protein Name
 Protein Info 
Relaxin receptor 1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Relaxin-like peptide receptor (family A GPCR)
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Relaxin receptor
Uniprot ID
Q9HBX9
Gene Name
RXFP1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000708 OVCAR-5
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 0.2 nM
   TI
   LI
   LO
   TS
2
EC50 = 18.4 nM
   TI
   LI
   LO
   TS