Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(diaminomethyleneamino)-2-(2-(methylamino)acetamido)pentanamido)-3-methylbutanamido)-3-(4-hydroxyphenyl)propanamido)-3-methylbutanamido)-3-(1H-imidazol-5-yl)propanoyl)pyrrolidine-5-carboxamido)propanoic acid
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 PubChem ID
CID: 6324663
SID: 14816411
Canonical SMILES
CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O
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Compound Formula C42H65N13O10
Compound Structure
Protein Name
 Protein Info 
Type-1 angiotensin II receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Angiotensin receptor
Uniprot ID
P30556
Gene Name
AGTR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
EC50 = 11 nM
   TI
   LI
   LO
   TS
2
EC50 > 10000 nM
   TI
   LI
   LO
   TS
3
IC50 = 0.4 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.35 nM
2 IC50 = 0.57 nM
3 IC50 = 0.6 nM
4 IC50 = 0.67 nM
5 IC50 = 1 nM
6 Ki = 0.17 nM
7 Ki = 0.22 nM
8 Ki = 0.33 nM