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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	SMR000201550
Molecular formula	C24H26N2O3S2
IUPAC name	4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
Molecular weight	454.603
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.0
Synonyms	HMS2503O14 4-methyl-3-{[(3-methylphenyl)amino]sulfonyl}-N-{2-[(4-methylphenyl)thio]ethyl}benzamide MLS002548646 STL101283 4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide MCULE-1402316996 AC1MG7GI MolPort-002-298-202 CHEMBL1563851 ZINC8666119 4-methyl-3-[(3-methylphenyl)sulfamoyl]-N-{2-[(4-methylphenyl)sulfanyl]ethyl}benzamide MLS000582845 AKOS000378074 [ Show all ]
Inchi Key	ADGNKYCYINZIDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26N2O3S2/c1-17-7-11-22(12-8-17)30-14-13-25-24(27)20-10-9-19(3)23(16-20)31(28,29)26-21-6-4-5-18(2)15-21/h4-12,15-16,26H,13-14H2,1-3H3,(H,25,27)
PubChem CID	2981744
ChEMBL	CHEMBL1563851
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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