Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(3S,6S,9S,12S,15S,18S,21S,27S,30S,33S,36S,39S,42S,45S,48S,59S,65S,68S,71S,74S,77S,81S,84S,87S,90S)-74-((1H-indol-3-yl)methyl)-3-acetamido-94-amino-45-(3-amino-3-oxopropyl)-15,33,71,87-tetrakis(4-aminobutyl)-12,48-di-sec-butyl-6,21,30,59-tetrakis(2-carboxyethyl)-27,39,84-tris(3-guanidinopropyl)-68,77-bis(hydroxymethyl)-18-isobutyl-9,36-diisopropyl-42,52,56,81-tetramethyl-65-(2-(methylthio)ethyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,53,57,60,63,66,69,72,75,78,82,85,88-octacosaoxo-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,54,58,61,64,67,70,73,76,79,83,86,89-octacosaazatetranonacontane-1,90-dicarboxylic acid
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Canonical SMILES
CC[C@H](C)[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)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(C)C(=O)NCC(C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)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)O
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Compound Formula C149H255N45O44S
Compound Structure
Protein Name
 Protein Info 
Relaxin receptor 1
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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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)  1
1
EC50 = 17 nM
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