Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-methyl 1-((6S,9S,12R)-12-benzyl-6-isobutyl-5,9,11-trimethyl-1-((S)-1-((2R,3S)-3-methyl-2-(3-phenylpropanoyloxy)pentanoyl)pyrrolidin-2-yl)-1,4,7,10-tetraoxo-2,5,8,11-tetraazatridecane)pyrrolidine-2-carboxylate
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 PubChem ID
CID: 145952624
Canonical SMILES
CC[C@H](C)[C@@H](OC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC
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Compound Formula C48H68N6O10
Compound Structure
Protein Name
 Protein Info 
Oxytocin receptor
Protein Classification
Membrane receptor
>
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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Vasopressin and oxytocin receptor
Uniprot ID
P30559
Gene Name
OXTR
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
IC50 = 5320 nM
   TI
   LI
   LO
   TS