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GLASS

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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	3,5-dimethoxy-N-[7-(4-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
Molecular formula	C24H23N3O5
IUPAC name	3,5-dimethoxy-N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
Molecular weight	433.464
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.8
Synonyms	HMS2508A09 AC1LDAVY MLS002583200 ST50161974 3,5-dimethoxy-N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide MCULE-3561798708 AKOS000613829 MolPort-000-511-464 (3,5-dimethoxyphenyl)-N-[7-(4-methoxyphenyl)-5-oxo(6,7,8-trihydroquinazolin-2- yl)]carboxamide CHEMBL1383345 STK211196 846584-09-6 MLS000082103 AKOS016308392 SMR000044977 [ Show all ]
Inchi Key	AEUDIVVJSRBPJW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23N3O5/c1-30-17-6-4-14(5-7-17)15-10-21-20(22(28)11-15)13-25-24(26-21)27-23(29)16-8-18(31-2)12-19(9-16)32-3/h4-9,12-13,15H,10-11H2,1-3H3,(H,25,26,27,29)
PubChem CID	664084
ChEMBL	CHEMBL1383345
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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