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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	CHEMBL497359
Molecular formula	C20H16F3N3O2
IUPAC name	1'-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
Molecular weight	387.362
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.3
Synonyms	SCHEMBL5789225 1'-(5-TRIFLUOROMETHYL-1H-BENZIMIDAZOL-2-YL)-3H-SPIRO[2-BENZOFURAN-1,4'-PIPERIDIN]-3-ONE 1''-(5-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl)-3H-spiro[isobenzofuran-1,4''-piperidin]-3-one BDBM50265265
Inchi Key	GOSQWFMKXKORBV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H16F3N3O2/c21-20(22,23)12-5-6-15-16(11-12)25-18(24-15)26-9-7-19(8-10-26)14-4-2-1-3-13(14)17(27)28-19/h1-6,11H,7-10H2,(H,24,25)
PubChem CID	10110741
ChEMBL	CHEMBL497359
IUPHAR	N/A
BindingDB	50265265
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	<10000.0 nM	PMID18723347	BindingDB,ChEMBL

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