Brief Information of the Compound and Protein
Compound Name
(2R)-2-[[(2R)-2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R,3S)-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-4-amino-2-[[(2R,3R)-2-[[(3R,6S,9S,17S,20R,23S,26S,29S)-3-(4-aminobutyl)-9-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-23-[3-(diaminomethylideneamino)propyl]-6-(hydroxymethyl)-20-(1H-imidazol-4-ylmethyl)-26-methyl-2,5,8,11,19,22,25,28-octaoxo-1,4,7,12,18,21,24,27-octazabicyclo[27.3.0]dotriacontane-17-carbonyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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PubChem ID
CID: 44350938
Canonical SMILES
CC[C@@H](C)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N1)[C@H](C)CC)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O
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Compound Formula C100H161N33O26
Compound Structure
Protein Name
Neuropeptide Y receptor type 1
Protein Classification
Membrane receptor
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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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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
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS