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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	SMR000047897
Molecular formula	C17H16N2O4
IUPAC name	4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
Molecular weight	312.325
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.1
Synonyms	(4E)-3-hydroxy-4-[4-(4-methoxyphenoxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienone 4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol BDBM42414 MolPort-000-794-599 (4E)-4-[4-(4-methoxyphenoxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one AC1NTX1M cid_5390025 4-(4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl)benzene-1,3-diol AKOS002226539 MCULE-8461476425 Z274319246 (4E)-3-hydroxy-4-[4-(4-methoxyphenoxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one MolPort-002-641-402 (4Z)-3-hydroxy-4-[4-(4-methoxyphenoxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one AC1NUBTS F3385-1586 STK718687 4-[4-(4-methoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-1,3-benzenediol AZSKFDMVCSRCDG-UHFFFAOYSA-N MLS000042418 ZINC18083446 (4E)-3-hydroxy-4-[4-(4-methoxyphenoxy)-5-methyl-3-pyrazolin-3-ylidene]cyclohexa-2,5-dien-1-one 879444-35-6 CHEMBL1468579 REGID_for_CID_5390025 3-hydroxy-4-[4-(4-methoxyphenoxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one AC1OA4QR HMS2367N12 VU0616898-1 [ Show all ]
Inchi Key	AZSKFDMVCSRCDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16N2O4/c1-10-17(23-13-6-4-12(22-2)5-7-13)16(19-18-10)14-8-3-11(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19)
PubChem CID	666539
ChEMBL	CHEMBL1468579
IUPHAR	N/A
BindingDB	42414
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	<35000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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