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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000041001
Molecular formula	C17H19N3O
IUPAC name	2-methyl-4-(4-methylpiperidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
Molecular weight	281.359
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.2
Synonyms	AC1LDCJA MCULE-6462963070 2-methyl-4-(4-methylpiperidin-1-yl)-[1]benzofuro[3,2-d]pyrimidine REGID_for_CID_664856 HMS2171F15 ZINC4301424 AKOS022125118 2-methyl-4-(4-methylpiperidin-1-yl)[1]benzofuro[3,2-d]pyrimidine CHEMBL1308461 SMR000045843 848741-45-7 HMS3319F12 2-methyl-4-(4-methyl-1-piperidinyl)benzofuro[3,2-d]pyrimidine BDBM42471 MolPort-002-622-592 2-methyl-4-(4-methylpiperidino)benzofuro[3,2-d]pyrimidine cid_664856 STL346108 [ Show all ]
Inchi Key	AEUVACXSTSXSIX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N3O/c1-11-7-9-20(10-8-11)17-16-15(18-12(2)19-17)13-5-3-4-6-14(13)21-16/h3-6,11H,7-10H2,1-2H3
PubChem CID	664856
ChEMBL	CHEMBL1308461
IUPHAR	N/A
BindingDB	42471
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	7229.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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