Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-N-[(2S)-4-amino-1-[[(2S)-1-[(3S)-3-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]-2-[[(2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-[[2-(4-hydroxyphenyl)acetyl]-methylamino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanediamide
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 PubChem ID
CID: 44428111
Canonical SMILES
CN([C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(=O)Cc1ccc(O)cc1
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Compound Formula C53H74N16O12
Compound Structure
Protein Name
 Protein Info 
Vasopressin V1a 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
P37288
Gene Name
AVPR1A
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)  2
1
Ki = 0.032 nM
   TI
   LI
   LO
   TS
2
Ki = 0.036 nM
   TI
   LI
   LO
   TS
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  2
1
Ki = 0.21 nM
   TI
   LI
   LO
   TS
2
Ki = 0.28 nM
   TI
   LI
   LO
   TS