Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,40S,44S,47S,53S,56S,59S,62S,65S,68S,71S,74S,78S,81S,84S,87S,90S,93S,96S,99S,102S)-71-((1H-indol-3-yl)methyl)-3-((S)-2-acetamido-4-methylpentanamido)-33,62,90-tris(5-acetamidopentyl)-102-(3-amino-3-oxopropyl)-18,30,59,84,87,93-hexakis(4-aminobutyl)-36-sec-butyl-56-butyl-9,15,47,96,99-pentakis(2-carboxyethyl)-12,24,81-tris(3-guanidinopropyl)-68-((R)-1-hydroxyethyl)-65,74-bis(hydroxymethyl)-21-isopropyl-27,40,44,78-tetramethyl-53-(2-(methylthio)ethyl)-4,7,10,13,16,19,22,25,28,31,34,37,41,45,48,51,54,57,60,63,66,69,72,75,79,82,85,88,91,94,97,100,103-tritriacontaoxo-5,8,11,14,17,20,23,26,29,32,35,38,42,46,49,52,55,58,61,64,67,70,73,76,80,83,86,89,92,95,98,101-dotriacontaazaicosahectane-1,120-dicarboxylic acid
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 PubChem ID
CID: 162648114
Canonical SMILES
CCCC[C@H](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(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCCNC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)NC[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCCNC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)CCCCCCCCCCCCCCCCCC(=O)O)[C@@H](C)O
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Compound Formula C204H354N54O56S
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 = 368 nM
   TI
   LI
   LO
   TS
2
EC50 > 2000 nM
   TI
   LI
   LO
   TS