Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-[(1S,7S,10S,16S,22R,28S,34R,37S,40S,43S,46S)-46-(2-amino-2-oxoethyl)-40-[(2S)-butan-2-yl]-37-[(4-hydroxyphenyl)methyl]-16,22,28-trimethyl-10-(2-methylpropyl)-2,8,11,14,17,20,23,26,29,32,35,38,41,44,47-pentadecaoxo-50,51-dithia-3,9,12,15,18,21,24,27,30,33,36,39,42,45,48-pentadecazatricyclo[32.14.4.03,7]dopentacontan-43-yl]propanamide
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 PubChem ID
CID: 53321822
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](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N2
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Compound Formula C58H87N17O18S2
Compound Structure
Protein Name
 Protein Info 
Oxytocin 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)
>
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 > 100000 nM
   TI
   LI
   LO
   TS