Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-1-((2S)-2-((2S)-1-((3S,6S,9S,12S,15S)-6-((1H-imidazol-5-yl)methyl)-1-((2S)-1-((2S)-2-((4R,7S,10S,13S,16S,19R)-19-((3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S)-36-((1H-imidazol-5-yl)methyl)-6,39-bis(2-amino-2-oxoethyl)-24,33-bis(4-aminobutyl)-1-((2S)-1-((2S)-5-guanidino-2-(5-oxopyrrolidine-2-carboxamido)pentanoyl)pyrrolidin-2-yl)-18,21,30-tris(3-guanidinopropyl)-12-((R)-1-hydroxyethyl)-9,27-diisobutyl-3-isopropyl-15-(2-(methylthio)ethyl)-1,4,7,10,13,16,19,22,25,28,31,34,37-tridecaoxo-2,5,8,11,14,17,20,23,26,29,32,35,38-tridecaazatetracontanamido)-13-(3-amino-3-oxopropyl)-7,10-bis(3-guanidinopropyl)-16-isobutyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-4-(methylthio)butanoyl)pyrrolidin-2-yl)-9-(3-guanidinopropyl)-12-(hydroxymethyl)-3-isobutyl-15-isopropyl-1,4,7,10,13-pentaoxo-2,5,8,11,14-pentaazahexadecane)pyrrolidine-2-carboxamido)-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
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 PubChem ID
CID: 145948635
Canonical SMILES
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)C1CCC(=O)N1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CSSC[C@H](C(=O)N[C@H](CCSC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O)C(C)C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CC(C)C)NC1=O
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Compound Formula C170H286N62O39S4
Compound Structure
Protein Name
 Protein Info 
Apelin receptor
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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Short peptide receptor (family A GPCR)
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Neuropeptide receptor
Uniprot ID
P35414
Gene Name
APLNR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  4
1
EC50 = 5.3 nM
   TI
   LI
   LO
   TS
2
EC50 = 10 nM
   TI
   LI
   LO
   TS
3
EC50 = 45 nM
   TI
   LI
   LO
   TS
4
Ki = 0.19 nM
   TI
   LI
   LO
   TS