Brief Information of the Compound and Protein
Compound Name
 Compound Info 
AVP
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 PubChem ID
CID: 644077
SID: 15411997
Canonical SMILES
N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O
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Compound Formula C46H65N15O12S2
Compound Structure
Protein Name
 Protein Info 
Oxytocin 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
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
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  3
1
EC50 = 8.3 nM
   TI
   LI
   LO
   TS
2
Ki = 1.65 nM
   TI
   LI
   LO
   TS
3
Ki = 1.7 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 22 nM
   TI
   LI
   LO
   TS
CL000109 COS-1
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  2
1
EC50 = 41 nM
   TI
   LI
   LO
   TS
2
Ki = 12 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
EC50 = 0.1 nM
   TI
   LI
   LO
   TS
2
Ki = 2 nM
   TI
   LI
   LO
   TS
3
Ki = 6 nM
   TI
   LI
   LO
   TS