Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-[(4S,7R,13R,16S)-13-benzyl-7-(carbamoylmethyl)-4-{[(2R)-2-{[(1S)-1-[(carbamoylmethyl)carbamoyl]-4-[(diaminomethylidene)amino]butyl]carbamoyl}pyrrolidin-1-yl]carbonyl}-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-10-yl]propanoic acid
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 PubChem ID
CID: 11274745
SID: 16360881
Canonical SMILES
NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
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Compound Formula C46H63N13O13S2
Compound Structure
Protein Name
 Protein Info 
Vasopressin V2 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
P30518
Gene Name
AVPR2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 1090 nM
   TI
   LI
   LO
   TS