Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R)-5-[[amino-[2-(propanoylamino)ethylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
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 PubChem ID
CID: 127042244
Canonical SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(=O)NCCNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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Compound Formula C37H43F6N7O9
Compound Structure
Protein Name
 Protein Info 
Neuropeptide Y 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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Neuropeptide Y receptor
Uniprot ID
P25929
Gene Name
NPY1R
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000082 HEL
 Cell Line Info 
Homo sapiens (Human)  8
1
IC50 = 0.1 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.1288 nM
   TI
   LI
   LO
   TS
3
IC50 = 0.1698 nM
   TI
   LI
   LO
   TS
4
IC50 = 0.4169 nM
   TI
   LI
   LO
   TS
5
IC50 = 0.871 nM
   TI
   LI
   LO
   TS
6
IC50 = 2.399 nM
   TI
   LI
   LO
   TS
7
IC50 = 7.61 nM
   TI
   LI
   LO
   TS
8
Ki = 0.1 nM
   TI
   LI
   LO
   TS
CL000074 SK-N-MC
 Cell Line Info 
Homo sapiens (Human)  4
1
IC50 = 0.3236 nM
   TI
   LI
   LO
   TS
2
Ki = 0.077 nM
   TI
   LI
   LO
   TS
3
Ki = 0.23 nM
   TI
   LI
   LO
   TS
4
Ki = 0.31 nM
   TI
   LI
   LO
   TS