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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	1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfonyl]-1H-pyrazol-5-yl thiophene-2-carboxylate
Molecular formula	C20H22N2O4S2
IUPAC name	[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] thiophene-2-carboxylate
Molecular weight	418.526
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.4
Synonyms	MLS000090765 AKOS001197585 SMR000025368 HMS2275I16 MLS001367833 ZINC4118726 MCULE-8597835003 AC1MMCMW MolPort-003-032-254 CHEMBL1600209 [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] thiophene-2-carboxylate [ Show all ]
Inchi Key	AGRYPPPEOJFIBA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N2O4S2/c1-13-8-10-15(11-9-13)28(24,25)17-14(2)21-22(20(3,4)5)18(17)26-19(23)16-7-6-12-27-16/h6-12H,1-5H3
PubChem CID	3236657
ChEMBL	CHEMBL1600209
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	15848.9 nM	PubChem BioAssay data set	ChEMBL

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