Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-10-(3-amino-3-oxopropyl)-13-tert-butyl-16-[(4-ethoxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
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 PubChem ID
CID: 44429300
Canonical SMILES
CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)C(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C)cc1
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Compound Formula C46H73N11O12S2
Compound Structure
Protein Name
 Protein Info 
Oxytocin 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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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)  1
1
IC50 = 7850 nM
   TI
   LI
   LO
   TS