Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(4S,7S,10S,13S,16S,19S,22S,25S,28S,34S,37S,40S,43S,46S,49S,52S,55S,58S,61S)-19-((1H-indol-3-yl)methyl)-61-((2S,8S,11S,14S,17S,20S)-20-amino-14-(4-aminobutyl)-17-sec-butyl-2-(3-guanidinopropyl)-8-(hydroxymethyl)-11-isobutyl-21-methyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazadocosanamido)-46-(3-amino-3-oxopropyl)-13-(4-aminobutyl)-37,43-di-sec-butyl-4-carbamoyl-10,52-bis(3-guanidinopropyl)-22-((R)-1-hydroxyethyl)-7,16,25,34-tetrakis(hydroxymethyl)-58-isobutyl-55-isopropyl-2,40,49-trimethyl-28-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-nonadecaoxo-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59-nonadecaazatetrahexacontan-64-oic acid
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Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=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](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCSC)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)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O
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Compound Formula C131H229N41O36S
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
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 7585.78 nM
   TI
   LI
   LO
   TS
2
Ki = 2884.03 nM
   TI
   LI
   LO
   TS