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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	AC1LLNFY
Molecular formula	C21H16N2O2S2
IUPAC name	2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
Molecular weight	392.491
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.2
Synonyms	2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one CHEBI:114898 SMR000196798 ST047752 2-{[2-(5-methylthiophen-2-yl)-2-oxoethyl]sulfanyl}-3-phenylquinazolin-4(3H)-one HMS2339K24 AKOS001730025 MolPort-002-229-274 2-{[2-(5-methyl-2-thienyl)-2-oxoethyl]sulfanyl}-3-phenyl-4(3H)-quinazolinone SR-01000527231 STK761631 A2150/0090316 MCULE-1299258363 2-[2-(5-methyl(2-thienyl))-2-oxoethylthio]-3-phenyl-3-hydroquinazolin-4-one Cambridge id 6950477 Oprea1_857400 2-{[2-(5-methyl-2-thienyl)-2-oxoethyl]thio}-3-phenyl-4(3H)-quinazolinone CHEMBL1499477 SR-01000527231-1 ZINC759032 MLS000575762 [ Show all ]
Inchi Key	ACCPBDSGHDRJJU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H16N2O2S2/c1-14-11-12-19(27-14)18(24)13-26-21-22-17-10-6-5-9-16(17)20(25)23(21)15-7-3-2-4-8-15/h2-12H,13H2,1H3
PubChem CID	1070244
ChEMBL	CHEMBL1499477
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	25118.9 nM	PubChem BioAssay data set	ChEMBL

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