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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	SMR000155400
Molecular formula	C22H16ClN3O3S2
IUPAC name	2-[[4-(3-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
Molecular weight	469.958
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.1
Synonyms	2-{[4-(3-chlorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethan-1-one MLS000536079 AKOS034458195 HMS2383F03 380431-10-7 MLS002635906 Z56824356 2-[[4-(3-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone MCULE-9318140818 AC1M653M MolPort-005-898-382 CHEMBL1481330 ZINC3223735 [ Show all ]
Inchi Key	AADPSPMQYLGCHH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H16ClN3O3S2/c23-14-4-1-5-15(12-14)26-21(19-8-3-11-30-19)24-25-22(26)31-13-17(27)16-6-2-7-18-20(16)29-10-9-28-18/h1-8,11-12H,9-10,13H2
PubChem CID	2342022
ChEMBL	CHEMBL1481330
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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