Brief Information of the Compound and Protein
Compound Name
(2S)-2-[[(2S,3S)-2-[[(3R,6S,12R)-12-(4-aminobutyl)-25-hydroxy-5,11,14-trioxo-4,10,13-triazatricyclo[22.3.1.06,10]octacosa-1(28),21,24,26-tetraene-3-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
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PubChem ID
CID: 145966776
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(CC=CCCCCCCC(=O)N[C@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N1)c2)C(=O)N[C@@H](CC(C)C)C(O)=O
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Compound Formula C42H66N6O8
Compound Structure
Protein Name
Neurotensin receptor type 1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Short peptide receptor (family A GPCR)
>
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  6
1
EC50 = 166.2 nM
   TI
   LI
   LO
   TS
2
EC50 = 433 nM
   TI
   LI
   LO
   TS
3
EC50 = 1370 nM
   TI
   LI
   LO
   TS
4
EC50 = 1500 nM
   TI
   LI
   LO
   TS
5
IC50 = 26 nM
   TI
   LI
   LO
   TS
6
Ki = 5600 nM
   TI
   LI
   LO
   TS