Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-benzoylphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-4-amino-1-[[(2S)-1-[(2R)-2-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxy-3-iodophenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide
    Show/Hide
 PubChem ID
CID: 44400327
Canonical SMILES
CC(=O)N[C@@H](Cc1ccc(cc1)C(=O)c1ccccc1)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](CCCNC(N)=N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(N)=O
    Show/Hide
Compound Formula C62H80IN17O13
Compound Structure
Protein Name
 Protein Info 
Vasopressin V1a receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
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)  1
1
Ki = 1492 nM
   TI
   LI
   LO
   TS