Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[2-[(1E,3E,5E)-5-[1-[6-[4-[[N'-[(4S)-4-amino-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-3-methylbutyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-oxopentyl]carbamimidoyl]carbamoylamino]butylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]butane-1-sulfonate;2,2,2-trifluoroacetic acid
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 PubChem ID
CID: 155525403
Canonical SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
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Compound Formula C82H118F6N16O20S2
Compound Structure
Protein Name
 Protein Info 
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)
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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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  5
1
EC50 = 0.4169 nM
   TI
   LI
   LO
   TS
2
Kd = 3.802 nM
   TI
   LI
   LO
   TS
3
Kd = 3.89 nM
   TI
   LI
   LO
   TS
4
Kd = 6.31 nM
   TI
   LI
   LO
   TS
5
Ki = 1.318 nM
   TI
   LI
   LO
   TS
CL000007 HT-29
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 5.888 nM
   TI
   LI
   LO
   TS
2
Ki = 1.38 nM
   TI
   LI
   LO
   TS