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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	SMR000154711
Molecular formula	C23H22N2O4S
IUPAC name	2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one
Molecular weight	422.499
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.3
Synonyms	HMS2283L11 ZINC3455074 849603-35-6 MLS002633193 2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one MCULE-5299388655 AC1M93AD MolPort-004-216-182 CHEMBL1438530 Z17970299 2-{[(7,8-dimethyl-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-3-(3-hydroxypropyl)-3,4-dihydroquinazolin-4-one MLS000568580 AKOS033592364 REGID_for_CID_2575417 [ Show all ]
Inchi Key	AFXFBLLMQINSEP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22N2O4S/c1-14-8-9-17-16(12-20(27)29-21(17)15(14)2)13-30-23-24-19-7-4-3-6-18(19)22(28)25(23)10-5-11-26/h3-4,6-9,12,26H,5,10-11,13H2,1-2H3
PubChem CID	2575417
ChEMBL	CHEMBL1438530
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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