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GLASS

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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	CHEMBL549699
Molecular formula	C18H24N6OS
IUPAC name	2-[[4-morpholin-4-yl-6-[(1,4,5-trimethylimidazol-2-yl)sulfanylmethyl]pyridin-2-yl]amino]acetonitrile
Molecular weight	372.491
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.0
Synonyms	BDBM50296000 SCHEMBL963098 2-(4-morpholino-6-((1,4,5-trimethyl-1H-imidazol-2-ylthio)methyl)pyridin-2-ylamino)acetonitrile
Inchi Key	BVDPSUAZHYUEMT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H24N6OS/c1-13-14(2)23(3)18(21-13)26-12-15-10-16(24-6-8-25-9-7-24)11-17(22-15)20-5-4-19/h10-11H,5-9,12H2,1-3H3,(H,20,22)
PubChem CID	44229544
ChEMBL	CHEMBL549699
IUPHAR	N/A
BindingDB	50296000
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	38000.0 nM	PMID19487123	BindingDB,ChEMBL

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