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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 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	SMR000066781
Molecular formula	C24H33N3O6
IUPAC name	N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
Molecular weight	459.543
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.3
Synonyms	MLS000054847 N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide CHEMBL1455428 MLS000864037 AC1MH9K2 HMS2275E09 MLS001175393 [ Show all ]
Inchi Key	AEOGJXIXYQVIDD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H33N3O6/c1-5-31-20-15-18(27-9-12-30-13-10-27)21(32-6-2)14-17(20)25-24(29)22(16(3)4)26-23(28)19-8-7-11-33-19/h7-8,11,14-16,22H,5-6,9-10,12-13H2,1-4H3,(H,25,29)(H,26,28)
PubChem CID	2998439
ChEMBL	CHEMBL1455428
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	19952.6 nM	PubChem BioAssay data set	ChEMBL

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