Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-2-((S)-1-((S)-2-((S)-1-((6S,9S,12S,15S,18S)-15-((1H-imidazol-5-yl)methyl)-1,6-diamino-18-(4-aminobutyl)-12-(hydroxymethyl)-1-imino-9-isobutyl-7,10,13,16,19-pentaoxo-2,8,11,14,17,20-hexaazadocosane)pyrrolidine-2-carboxamido)hexanoyl)pyrrolidine-2-carboxamido)-3-(4-(benzyloxy)phenyl)propanoic acid
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 PubChem ID
CID: 118734784
Canonical SMILES
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
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Compound Formula C61H92N16O13
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)  2
1
IC50 = 57 nM
   TI
   LI
   LO
   TS
2
Ki = 46 nM
   TI
   LI
   LO
   TS