Brief Information of the Compound and Protein
Compound Name
4-Methyl-2-{(S)-methyl-1-(S)-2-[(S)-2-[((S)-{1-[(S)-2-((S)-2-amino-5-guanidino-pentanoylamino)-5-guanidino-1-oxo-pentyl]-pyrrolidin-2-yl}-oxo-methyl)-methyl-amino]-3-(4-hydroxy-phenyl)-1-oxo-propylamino]-3-oxo-pentylamino}-pentanoic acid
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PubChem ID
CID: 71717277
Canonical SMILES
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O
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Compound Formula C39H66N12O8
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
CL000006 HEK293 Homo sapiens (Human)  4
1
Ki = 5.1 nM
   TI
   LI
   LO
   TS
2
Ki = 4100 nM
   TI
   LI
   LO
   TS
3
Ki = 5100 nM
   TI
   LI
   LO
   TS
4
Ki = 7100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1400 nM