Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3,3'-((4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,37S,40S,43R,48R,51S,54S,57S,60S,63S,66S,69S,72S,75S,81R)-37-((1H-indol-3-yl)methyl)-43-amino-48-((6S,9S)-1-amino-6-((S)-1-carboxy-2-(1H-indol-3-yl)ethylcarbamoyl)-9-(hydroxymethyl)-1-imino-8,11,14-trioxo-2,7,10,13-tetraazapentadecan-15-ylcarbamoyl)-25,40-bis(4-aminobutyl)-54,69-dibenzyl-16,57,66-tri-sec-butyl-4-carboxy-81-((3S,9S,12S,15S)-1-((S)-1-((S)-2-((S)-2-((S)-2-((S)-1-carboxy-2-(1H-indol-3-yl)ethylamino)-5-guanidinopentanamido)propanamido)propanoyl)pyrrolidin-2-yl)-12-(3-guanidinopropyl)-3-(4-hydroxybenzyl)-15-isobutyl-9-isopropyl-1,4,7,10,13-pentaoxo-2,5,8,11,14-pentaazahexadecanamido)-63,75-bis(3-guanidinopropyl)-51-((R)-1-hydroxyethyl)-10,13,22,28-tetrakis(hydroxymethyl)-7-isobutyl-60-isopropyl-31-methyl-6,9,12,15,18,21,24,27,30,33,36,39,42,50,53,56,59,62,65,68,71,74,77,80-tetracosaoxo-1,2,45,46-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,49,52,55,58,61,64,67,70,73,76,79-tetracosaazacyclodooctacontane-19,72-diyl)dipropanoic acid
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 PubChem ID
CID: 162659068
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)C(C)C)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O
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Compound Formula C207H316N60O55S4
Compound Structure
Protein Name
 Protein Info 
Relaxin-3 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
Q9NSD7
Gene Name
RXFP3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
EC50 = 6.166 nM
   TI
   LI
   LO
   TS
2
Ki = 45.71 nM
   TI
   LI
   LO
   TS