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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	SMR000030980
Molecular formula	C18H24N4O2S
IUPAC name	6-morpholin-4-yl-3-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one
Molecular weight	360.476
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.5
Synonyms	MLS000095426 689768-65-8 HMS2391K19 ZINC20644533 6-morpholin-4-yl-3-(2-pyrrolidin-1-ylethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one MLS002588591 AC1MMBU7 CHEMBL1327884 SR-01000143735 MCULE-4638738272 6-morpholino-3-(2-(pyrrolidin-1-yl)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one AKOS002096193 MolPort-007-912-735 F6548-4138 SR-01000143735-1 6-morpholin-4-yl-3-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one [ Show all ]
Inchi Key	ABZJJNYCDSEYKI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H24N4O2S/c23-17-15-13-14(21-9-11-24-12-10-21)3-4-16(15)19-18(25)22(17)8-7-20-5-1-2-6-20/h3-4,13H,1-2,5-12H2,(H,19,25)
PubChem CID	3236299
ChEMBL	CHEMBL1327884
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	1584.9 nM	PubChem BioAssay data set	ChEMBL

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