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GLASS

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GPCR

Name	Neuropeptide Y receptor type 4
Species	Homo sapiens (Human)
Gene	NPY4R
Synonym	NPY4-R neuropeptide Y receptor type 4 pancreatic polypeptide receptor 1 PP1 Y4 receptor
Disease	Obesity Diabetes Schizophrenia
Length	375
Amino acid sequence	MNTSHLLALLLPKSPQGENRSKPLGTPYNFSEHCQDSVDVMVFIVTSYSIETVVGVLGNLCLMCVTVRQKEKANVTNLLIANLAFSDFLMCLLCQPLTAVYTIMDYWIFGETLCKMSAFIQCMSVTVSILSLVLVALERHQLIINPTGWKPSISQAYLGIVLIWVIACVLSLPFLANSILENVFHKNHSKALEFLADKVVCTESWPLAHHRTIYTTFLLLFQYCLPLGFILVCYARIYRRLQRQGRVFHKGTYSLRAGHMKQVNVVLVVMVVAFAVLWLPLHVFNSLEDWHHEAIPICHGNLIFLVCHLLAMASTCVNPFIYGFLNTNFKKEIKALVLTCQQSAPLEESEHLPLSTVHTEVSKGSLRLSGRSNPI
UniProt	P50391
Protein Data Bank	N/A
GPCR-HGmod model	P50391
3D structure model	This predicted structure model is from GPCR-EXP P50391.
BioLiP	N/A
Therapeutic Target Database	T27944
ChEMBL	CHEMBL4877
IUPHAR	307
DrugBank	BE0002418

Ligand

Name	CHEMBL491762
Molecular formula	C23H26O4
IUPAC name	9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one
Molecular weight	366.457
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.6
Synonyms	9-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one CCG-25804 HMS1582P05 SR-01000507925-1 9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one MCULE-2029397187 9-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one AKOS002528569 EU-0050644 SMR000137465 9-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-3,3-dimethyl-4,9-dihydro-2H-xanthen-1-one CCJIUBMPDVWYLU-UHFFFAOYSA-N HMS2189A06 STK795484 A0231/0010415 CTK8G0454 MLS000532526 9-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one # Cambridge id 5402453 GTPL1565 SR-01000507925 9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one L152804 1H-Xanthen-1-one, 2,3,4,9-tetrahydro-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)-3,3-dimethyl- AC1LDQPU D0C9XD MolPort-002-114-727 [ Show all ]
Inchi Key	CCJIUBMPDVWYLU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26O4/c1-22(2)9-14(24)20(15(25)10-22)19-13-7-5-6-8-17(13)27-18-12-23(3,4)11-16(26)21(18)19/h5-8,19,24H,9-12H2,1-4H3
PubChem CID	624746
ChEMBL	CHEMBL491762
IUPHAR	1565
BindingDB	N/A
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	PMID18637668	ChEMBL

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