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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	BAS 00216743
Molecular formula	C19H14N2OS
IUPAC name	3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
Molecular weight	318.394
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.5
Synonyms	3-(4-methylphenyl)-2-(2-thienyl)-3-hydroquinazolin-4-one MCULE-6522180779 ZINC349591 AC1LGWMZ Oprea1_356352 ST50219203 3-(4-methylphenyl)-2-(thiophen-2-yl)quinazolin-4(3H)-one MLS000560954 AKOS000602215 Oprea1_865893 2-Thiophen-2-yl-3-p-tolyl-3H-quinazolin-4-one CHEMBL1479320 STK368704 3-(4-methylphenyl)-2-thiophen-2-ylquinazolin-4-one MolPort-001-918-105 SMR000174073 [ Show all ]
Inchi Key	AAASRNHSMGFXGC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H14N2OS/c1-13-8-10-14(11-9-13)21-18(17-7-4-12-23-17)20-16-6-3-2-5-15(16)19(21)22/h2-12H,1H3
PubChem CID	828268
ChEMBL	CHEMBL1479320
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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