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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	MLS000570445
Molecular formula	C25H20N2O3
IUPAC name	N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)quinoline-4-carboxamide
Molecular weight	396.446
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.8
Synonyms	N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)-4-quinolinecarboxamide HMS2165E20 Oprea1_115051 AKOS003252295 STK418964 CHEMBL1499276 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)quinoline-4-carboxamide HMS3319M15 REGID_for_CID_1220296 BDBM42522 MolPort-001-490-244 ZINC995297 cid_1220296 N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(p-tolyl)cinchoninamide AC1LOGHU MCULE-7495958112 SMR000186872 [ Show all ]
Inchi Key	AVBFGEPJASDZCA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H20N2O3/c1-16-6-8-17(9-7-16)22-15-20(19-4-2-3-5-21(19)27-22)25(28)26-18-10-11-23-24(14-18)30-13-12-29-23/h2-11,14-15H,12-13H2,1H3,(H,26,28)
PubChem CID	1220296
ChEMBL	CHEMBL1499276
IUPHAR	N/A
BindingDB	42522
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	5010.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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