Brief Information of the Compound and Protein
Compound Name
(3S,12S,15S,21S,30S,33S)-12-N,30-N-bis[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3,21-bis[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2,6,14,20,24,32-hexaoxo-1,7,13,19,25,31-hexazatricyclo[31.3.0.015,19]hexatriacontane-12,30-dicarboxamide
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PubChem ID
CID: 155533017
Canonical SMILES
CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
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Compound Formula C116H182N34O24
Compound Structure
Protein Name
Neuropeptide Y receptor type 4
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
P50391
Gene Name
NPY4R
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  2
1
EC50 = 23.44 nM
   TI
   LI
   LO
   TS
2
Ki = 158.49 nM
   TI
   LI
   LO
   TS