Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2,2'-((4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,37S,40S,43R,48R,54S,57S,60S,63S,66S,69S,72S,75S,78S,81S,84R)-43-amino-84-((6S,9S,12S,15S)-1-amino-6-((S)-1-carboxy-2-(1H-indol-3-yl)ethylcarbamoyl)-9,12-bis(hydroxymethyl)-1-imino-8,11,14-trioxo-2,7,10,13-tetraazahexadecan-15-ylcarbamoyl)-63,75,81-tri-sec-butyl-4-carboxy-57-(2-carboxyethyl)-48-((2S,5S,8S,11S,14S,17S)-17,21-diamino-14-(2-carboxyethyl)-5-(3-guanidinopropyl)-11-(hydroxymethyl)-2-isobutyl-8-isopropyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazahenicosanamido)-66-(3-guanidinopropyl)-60,78-bis(4-hydroxybenzyl)-22,40,69-tris((R)-1-hydroxyethyl)-13,28-bis(hydroxymethyl)-7,16,54-triisobutyl-72-isopropyl-10,31-dimethyl-25-(2-(methylthio)ethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,49,52,55,58,61,64,67,70,73,76,79,82-pentacosaoxo-1,2,45,46-tetrathia-5,8,11,14,17,20,23,26,29,32,35,38,41,50,53,56,59,62,65,68,71,74,77,80,83-pentacosaazacyclopentaoctacontane-19,37-diyl)diacetic acid
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Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)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)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)CSSC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)NC1=O
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Compound Formula C180H291N49O58S5
Compound Structure
Protein Name
 Protein Info 
Relaxin-3 receptor 2
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
Q8TDU9
Gene Name
RXFP4
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 = 100 nM
   TI
   LI
   LO
   TS
2
Ki = 144.54 nM
   TI
   LI
   LO
   TS