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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	SMR000119525
Molecular formula	C22H25F3N2O3
IUPAC name	N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-(2-phenylethyl)acetamide
Molecular weight	422.448
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.7
Synonyms	MLS002538425 AKOS000802007 MCULE-2107148834 N-(Cyclohexylcarbamoyl-furan-2-yl-methyl)-2,2,2-trifluoro-N-phenethyl-acetamide AKOS024316339 CHEMBL1496220 MLS000122112 AC1ML8D8 ASN 05990728 N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-2,2,2-trifluoro-N-phenethylacetamide HMS2382P22 [ Show all ]
Inchi Key	FRZVXUNJFRLXDY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25F3N2O3/c23-22(24,25)21(29)27(14-13-16-8-3-1-4-9-16)19(18-12-7-15-30-18)20(28)26-17-10-5-2-6-11-17/h1,3-4,7-9,12,15,17,19H,2,5-6,10-11,13-14H2,(H,26,28)
PubChem CID	3215983
ChEMBL	CHEMBL1496220
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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