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GPCR

Name	Neuropeptide S receptor
Species	Homo sapiens (Human)
Gene	NPSR1
Synonym	G-protein coupled receptor for asthma susceptibility vasopressin receptor-related receptor 1 G protein-coupled receptor 154 PGR14 NPS receptor G-protein coupled receptor 154 GPR154 G-protein coupled receptor PGR14 VRR1 [ Show all ]
Disease	Neurological disease
Length	371
Amino acid sequence	MPANFTEGSFDSSGTGQTLDSSPVACTETVTFTEVVEGKEWGSFYYSFKTEQLITLWVLFVFTIVGNSVVLFSTWRRKKKSRMTFFVTQLAITDSFTGLVNILTDINWRFTGDFTAPDLVCRVVRYLQVVLLYASTYVLVSLSIDRYHAIVYPMKFLQGEKQARVLIVIAWSLSFLFSIPTLIIFGKRTLSNGEVQCWALWPDDSYWTPYMTIVAFLVYFIPLTIISIMYGIVIRTIWIKSKTYETVISNCSDGKLCSSYNRGLISKAKIKAIKYSIIIILAFICCWSPYFLFDILDNFNLLPDTQERFYASVIIQNLPALNSAINPLIYCVFSSSISFPCREQRSQDSRMTFRERTERHEMQILSKPEFI
UniProt	Q6W5P4
Protein Data Bank	N/A
GPCR-HGmod model	Q6W5P4
3D structure model	This predicted structure model is from GPCR-EXP Q6W5P4.
BioLiP	N/A
Therapeutic Target Database	T20958
ChEMBL	CHEMBL5162
IUPHAR	302
DrugBank	BE0000948

Ligand

Name	MLS000587237
Molecular formula	C20H18N2O4
IUPAC name	(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
Molecular weight	350.374
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.6
Synonyms	AKOS005544156 MolPort-002-567-471 (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-6-hydroxy-3-[4-(propan-2-yl)phenyl]pyrimidine-2,4(3H,5H)-dione CHEMBL1509980 STK608858 (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione AC1LZH7U BDBM79560 SMR000211311 (5E)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione cid_1922630 ZINC8914163 (5Z)-5-[(E)-3-(2-furyl)prop-2-enylidene]-1-p-cumenyl-barbituric acid MolPort-000-829-099 (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-[4-(propan-2-yl)phenyl]pyrimidine-2,4,6(1H,3H,5H)-trione AKOS000323973 STK176474 (5E)-5-[(E)-3-(2-furyl)prop-2-enylidene]-1-p-cumenyl-barbituric acid HMS2639M14 5-[(E)-3-Furan-2-yl-prop-2-en-(E)-ylidene]-1-(4-isopropyl-phenyl)-pyrimidine-2,4,6-trione [ Show all ]
Inchi Key	CJOKZQXLSSIEPY-GOBGXLLKSA-N
Inchi ID	InChI=1S/C20H18N2O4/c1-13(2)14-8-10-15(11-9-14)22-19(24)17(18(23)21-20(22)25)7-3-5-16-6-4-12-26-16/h3-13H,1-2H3,(H,21,23,25)/b5-3+,17-7+
PubChem CID	1922630
ChEMBL	CHEMBL1509980
IUPHAR	N/A
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
Potency	3981.1 nM	PubChem BioAssay data set	ChEMBL

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