(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,5S,8S,11S,14S,17S,26S,29S,32S)-32-(4-aminobutyl)-26-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-14-(2-amino-2-oxoethyl)-11-[(2S)-butan-2-yl]-2-(3-carbamimidamidopropyl)-29-(hydroxymethyl)-8-[(4-hydroxyphenyl)methyl]-5-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,23,27,30,33,40-decaoxo-1,4,7,10,13,16,22,28,31,34-decazacyclotetracontane-17-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid

InChIKey	`ROSXYSDJZUJAFR-QCETVNLESA-N`
Compound Name	(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,5S,8S,11S,14S,17S,26S,29S,32S)-32-(4-aminobutyl)-26-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-14-(2-amino-2-oxoethyl)-11-[(2S)-butan-2-yl]-2-(3-carbamimidamidopropyl)-29-(hydroxymethyl)-8-[(4-hydroxyphenyl)methyl]-5-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,23,27,30,33,40-decaoxo-1,4,7,10,13,16,22,28,31,34-decazacyclotetracontane-17-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Canonical SMILES	`CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](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](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Homologous
Avg pChEMBL	7.2
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P49146	NPY2R	Homo sapiens	Human	PF00001	8.7	Ki	ChEMBL;BindingDB
P50391	NPY4R	Homo sapiens	Human	PF00001	7.6	Ki	ChEMBL;BindingDB
P25929	NPY1R	Homo sapiens	Human	PF00001	6.3	Ki	ChEMBL;BindingDB
Q15761	NPY5R	Homo sapiens	Human	PF00001	6.2	Ki	ChEMBL;BindingDB