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)-12-(3-guanidinopropyl)-1-((2S)-1-((3S,6S,9R,12S)-6-(3-guanidinopropyl)-9-(mercaptomethyl)-3-methyl-1,4,7,10-tetraoxo-1-(5-oxopyrrolidin-2-yl)-15-thia-2,5,8,11-tetraazahexadecanecarbonyl)pyrrolidin-2-yl)-9-(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: 127045189
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)C1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C
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Compound Formula C72H112N22O17S2
Compound Structure
Protein Name
 Protein Info 
Apelin receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
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)  3
1
EC50 = 16 nM
   TI
   LI
   LO
   TS
2
EC50 = 484 nM
   TI
   LI
   LO
   TS
3
Ki = 8.4 nM
   TI
   LI
   LO
   TS