Brief Information of the Compound and Protein
Compound Name
(3S,6S,9S,12S,15S,16S)-3-amino-15-((S)-2-(2-((S)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-3-oxo-1,2,3,4,5,10-hexahydroazepino[3,4-b]indol-4-ylcarbamoyl)-6-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-isopropyl-16-methyl-4,7,10,13-tetraoxo-5,8,11,14-tetraazaoctadecan-1-oic acid
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Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@H]1Cc2c([nH]c3ccccc23)CN(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)C1=O
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Compound Formula C53H70N12O12
Compound Structure
Protein Name
Type-1 angiotensin II 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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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 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS