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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.
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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	CHEMBL566040
Molecular formula	C24H29N5O2S
IUPAC name	N-[(6-methylpyridin-2-yl)methyl]-4-morpholin-4-yl-6-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylsulfanylmethyl)pyridin-2-amine
Molecular weight	451.589
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.6
Synonyms	BDBM50301208 N-((6-methylpyridin-2-yl)methyl)-4-morpholino-6-((4,5,6,7-tetrahydrobenzo[d]oxazol-2-ylthio)methyl)pyridin-2-amine
Inchi Key	BPJLIMPTBHRRCY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29N5O2S/c1-17-5-4-6-18(26-17)15-25-23-14-20(29-9-11-30-12-10-29)13-19(27-23)16-32-24-28-21-7-2-3-8-22(21)31-24/h4-6,13-14H,2-3,7-12,15-16H2,1H3,(H,25,27)
PubChem CID	45487434
ChEMBL	CHEMBL566040
IUPHAR	N/A
BindingDB	50301208
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	0.46 nM	PMID19640706	BindingDB,ChEMBL

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