Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1R,7S,10S,16R,19S,22S,25S,28S)-25-(3-amino-3-oxopropyl)-22-[(2S)-butan-2-yl]-19-[(4-hydroxyphenyl)methyl]-10-(2-methylpropyl)-2,8,11,14,17,20,23,26,29-nonaoxo-32,33-dithia-3,9,12,15,18,21,24,27,30-nonazatricyclo[14.14.4.03,7]tetratriacontane-28-carboxamide
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 PubChem ID
CID: 53321821
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC1=O)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2
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Compound Formula C42H61N11O12S2
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
CL000109 COS-1
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  2
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
2
Ki = 1404 nM
   TI
   LI
   LO
   TS