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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	SMR000163162
Molecular formula	C23H19F3N2O5
IUPAC name	N-[2-(3-methylphenoxy)ethyl]-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
Molecular weight	460.409
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	5.1
Synonyms	ZINC3663935 BDBM42426 MolPort-002-699-776 REGID_for_CID_4332811 cid_4332811 SR-01000516887-1 AG-205/11370449 MCULE-2770734907 N-[2-(3-methylphenoxy)ethyl]-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide A1530/0066517 EU-0018086 STK756280 AKOS001722323 MLS000545646 4-[2-nitro-4-(trifluoromethyl)phenoxy]-N-[2-(3-methylphenoxy)ethyl]benzamide CHEMBL1342624 N~1~-[2-(3-methylphenoxy)ethyl]-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide SR-01000516887 AC1N7SWJ HMS2360F13 [ Show all ]
Inchi Key	AOJRLYOUAGXQNN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H19F3N2O5/c1-15-3-2-4-19(13-15)32-12-11-27-22(29)16-5-8-18(9-6-16)33-21-10-7-17(23(24,25)26)14-20(21)28(30)31/h2-10,13-14H,11-12H2,1H3,(H,27,29)
PubChem CID	4332811
ChEMBL	CHEMBL1342624
IUPHAR	N/A
BindingDB	42426
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<35000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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