Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R)-2-[[(2S)-1-[(2S)-2-[[(2S,3aS,7aS)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-6-guanidino-hexanoyl]amino]-5-guanidino-pentanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-6-guanidino-hexanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-6-amino-hexanoyl]amino]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-3-(4-iodophenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid
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Canonical SMILES
CC(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)C[C@@H]2CCCC[C@@H]21
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Compound Formula C100H152IN31O19
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
Q9JHG3
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1.95 nM
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