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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Neuropeptide Y receptor type 1
Species	Homo sapiens (Human)
Gene	NPY1R
Synonym	neuropeptide Y receptor type 1 NPY-Y1 receptor NPY1-R FC5 Y1 receptor Y1-R [ Show all ]
Disease	Hypertension; Obesity; Heart disease Obesity Eating disorders reduction in food intake obesity anxiety Eating disorders reduction in food intake Eating disorder Cardiovascular disorder Hypertension [ Show all ]
Length	384
Amino acid sequence	MNSTLFSQVENHSVHSNFSEKNAQLLAFENDDCHLPLAMIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAIMCLPFTFVYTLMDHWVFGEAMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYVGIAVIWVLAVASSLPFLIYQVMTDEPFQNVTLDAYKDKYVCFDQFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKMRDNKYRSSETKRINIMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKINNNDDNEKI
UniProt	P25929
Protein Data Bank	5zbh
GPCR-HGmod model	P25929
3D structure model	This structure is from PDB ID 5zbh.
BioLiP	BL0411971
Therapeutic Target Database	T89213
ChEMBL	CHEMBL4777
IUPHAR	305
DrugBank	N/A

Ligand

Name	CHEMBL508974
Molecular formula	C32H38N6O6
IUPAC name	ethyl 2-[[N'-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]carbamoylamino]acetate
Molecular weight	602.692
Hydrogen bond acceptor	7
Hydrogen bond donor	6
XlogP	3.4
Synonyms	(R)-ethyl 2-(3-((5-(4-hydroxybenzylamino)-4-(2,2-diphenylacetamido)-5-oxopentylamino)(amino)methylene)ureido)acetate BDBM50246649
Inchi Key	DLLWIQHESQBDLY-AREMUKBSSA-N
Inchi ID	InChI=1S/C32H38N6O6/c1-2-44-27(40)21-36-32(43)38-31(33)34-19-9-14-26(29(41)35-20-22-15-17-25(39)18-16-22)37-30(42)28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-18,26,28,39H,2,9,14,19-21H2,1H3,(H,35,41)(H,37,42)(H4,33,34,36,38,43)/t26-/m1/s1
PubChem CID	10008757
ChEMBL	CHEMBL508974
IUPHAR	N/A
BindingDB	50246649
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.05012 nM	PMID26466164	ChEMBL
IC50	0.0631 nM	PMID26466164	ChEMBL
IC50	0.1259 nM	PMID26466164	ChEMBL
IC50	0.1514 nM	PMID26466164	ChEMBL
IC50	0.1698 nM	PMID26466164	ChEMBL
IC50	0.4266 nM	PMID26466164	ChEMBL
IC50	0.7079 nM	PMID26466164	ChEMBL
IC50	2.754 nM	PMID26466164	ChEMBL
IC50	8.24 nM	PMID26466164	ChEMBL
Inhibition	90.0 %	PMID26466164	ChEMBL
Ki	0.037 nM	PMID26466164	ChEMBL
Ki	0.06 nM	PMID26466164	ChEMBL
Ki	0.1 nM	PMID19053784	BindingDB,ChEMBL
Ki	0.12 nM	PMID26466164	ChEMBL
Ki	0.21 nM	PMID26466164	ChEMBL
Ki	0.28 nM	PMID26466164	ChEMBL
Ki	0.3 nM	PMID26466164	ChEMBL
Ki	0.42 nM	PMID26466164	ChEMBL

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