Brief Information of the Compound and Protein
Compound Name
(2S)-N-{2-Methyl-4-[(4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-piperidin-1-yl)carbonyl]benzyl}-2-[(4-methyl-1,4-diazepan-1-yl)-carbonothioyl]pyrrolidine-1-carboxamide
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PubChem ID
CID: 46233066
Canonical SMILES
CN1CCCN(CC1)C(=S)[C@@H]1CCCN1C(=O)NCc1ccc(cc1C)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
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Compound Formula C34H44N6O4S
Compound Structure
Protein Name
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 245 nM
   TI
   LI
   LO
   TS