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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	SMR000127622
Molecular formula	C22H26N2O
IUPAC name	N-cyclohexyl-2-(2,3-dihydroindol-1-yl)-2-phenylacetamide
Molecular weight	334.463
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.9
Synonyms	AKOS001776903 HMS2253A04 MLS000522354 EU-0021208 N-cyclohexyl-2-(2,3-dihydroindol-1-yl)-2-phenylacetamide AKOS022028254 IDI1_025641 CHEMBL1439195 MolPort-007-586-854 AC1MVC4P HMS1494P09 BRD-A40232474-001-01-3 MCULE-6349474462 ChemDiv3_007731 N-cyclohexyl-2-(2,3-dihydro-1H-indol-1-yl)-2-phenylacetamide [ Show all ]
Inchi Key	ADZLVMLREIHPHR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26N2O/c25-22(23-19-12-5-2-6-13-19)21(18-10-3-1-4-11-18)24-16-15-17-9-7-8-14-20(17)24/h1,3-4,7-11,14,19,21H,2,5-6,12-13,15-16H2,(H,23,25)
PubChem CID	3680932
ChEMBL	CHEMBL1439195
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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