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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	ethyl 2-(methylsulfanyl)-4-{3-[(phenylsulfonyl)amino]phenoxy}-5-pyrimidinecarboxylate
Molecular formula	C20H19N3O5S2
IUPAC name	ethyl 4-[3-(benzenesulfonamido)phenoxy]-2-methylsulfanylpyrimidine-5-carboxylate
Molecular weight	445.508
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.7
Synonyms	6R-1171 HMS2383B03 MLS000549264 ethyl 4-(3-benzenesulfonamidophenoxy)-2-(methylsulfanyl)pyrimidine-5-carboxylate ZINC1394780 AC1LS36C KS-00003BX6 CHEMBL1343347 MolPort-002-875-674 439111-29-2 ethyl 4-[3-(benzenesulfonamido)phenoxy]-2-methylsulfanylpyrimidine-5-carboxylate AKOS005098918 MCULE-3808760577 SMR000168847 [ Show all ]
Inchi Key	AAOCSIJBSWKPFU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19N3O5S2/c1-3-27-19(24)17-13-21-20(29-2)22-18(17)28-15-9-7-8-14(12-15)23-30(25,26)16-10-5-4-6-11-16/h4-13,23H,3H2,1-2H3
PubChem CID	1481618
ChEMBL	CHEMBL1343347
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	3981.1 nM	PubChem BioAssay data set	ChEMBL

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