Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S,6S,9S,12S,15S,18S,22S,25S,28S,31S,34S,40S,43S,47S,51S,54S,57S,60S,63S,66S,69S,72S,75S,81S)-25-((1H-indol-3-yl)methyl)-81-((S)-2-acetamido-4-methylpentanamido)-3-((S)-1-amino-1,5-dioxohenicosan-4-ylcarbamoyl)-54-(3-amino-3-oxopropyl)-9,12,66-tris(4-aminobutyl)-51-sec-butyl-6,40,69,75-tetrakis(2-carboxyethyl)-15,60,72-tris(3-guanidinopropyl)-28-((R)-1-hydroxyethyl)-22,31-bis(hydroxymethyl)-63-isopropyl-18,43,47,57-tetramethyl-34-(2-(methylthio)ethyl)-5,8,11,14,17,21,24,27,30,33,36,39,42,46,50,53,56,59,62,65,68,71,74,77,80-pentacosaoxo-4,7,10,13,16,20,23,26,29,32,35,38,41,45,49,52,55,58,61,64,67,70,73,76,79-pentacosaazatrioctacontane-1,83-dicarboxylic acid
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Canonical SMILES
CCCCCCCCCCCCCCCCC(=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)[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](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](CCC(N)=O)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 C156H265N43O46S
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 = 17.6 nM
   TI
   LI
   LO
   TS
2
EC50 > 3000 nM
   TI
   LI
   LO
   TS