Brief Information of the Compound and Protein
Compound Name
(S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-amino-5-guanidino-2-methylpentanamido)hexanoyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-3,3-dimethylbutanamido)-4-methylpentanoic acid
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PubChem ID
CID: 44572626
Canonical SMILES
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@](C)(N)CCCN=C(N)N)C(C)(C)C)C(O)=O
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Compound Formula C41H67N11O7
Compound Structure
Protein Name
Neurotensin receptor type 1
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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Neurotensin receptor
Uniprot ID
P30989
Gene Name
NTSR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  1
1
EC50 = 1860 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2900 nM
2 Ki = 2170 nM