Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-N-[(2S)-5-amino-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22S)-25-amino-13-(2-amino-2-oxoethyl)-19-benzyl-16-[(1R)-1-hydroxyethyl]-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
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 PubChem ID
CID: 118734326
Canonical SMILES
COc1ccc(C[C@@H]2NC(=O)C(N)C3(CCCCC3)SSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC2=O)[C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1
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Compound Formula C57H78N12O13S2
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
Ki = 0.45 nM
   TI
   LI
   LO
   TS
2
Ki = 0.67 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.21 nM