Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3,3'-((1R,6R,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,42R,47R,50S,53S,56S,59S,62S,65S,68S,71S,74R,80S,83S,88R)-88-((3S,6S,9S,12S,15S)-9-(3-amino-3-oxopropyl)-3-(carboxymethyl)-12-((R)-1-hydroxyethyl)-6,15-diisobutyl-1,4,7,10,13-pentaoxo-1-(5-oxopyrrolidin-2-yl)-2,5,8,11,14-pentaazahexadecanamido)-42-((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)-21,33,39-tri-sec-butyl-47-carboxy-62-(carboxymethyl)-6-((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)-24-(3-guanidinopropyl)-18,36-bis(4-hydroxybenzyl)-27,65,83-tris((R)-1-hydroxyethyl)-56,71-bis(hydroxymethyl)-12,50,59-triisobutyl-30-isopropyl-53-methyl-68-(2-(methylthio)ethyl)-7,10,13,16,19,22,25,28,31,34,37,40,49,52,55,58,61,64,67,70,73,76,79,82,85,87-hexacosaoxo-3,4,44,45,90,91-hexathia-8,11,14,17,20,23,26,29,32,35,38,41,48,51,54,57,60,63,66,69,72,75,78,81,84,86-hexacosaazabicyclo[72.11.7]dononacontane-15,80-diyl)dipropanoic acid
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 PubChem ID
CID: 162652752
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]2NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)C3CCC(=O)N3)[C@@H](C)O)CSSC[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC2=O)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 C214H343N57O70S7
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)  1
1
Ki = 33.11 nM
   TI
   LI
   LO
   TS