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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	MLS000834357
Molecular formula	C28H32F3NO4
IUPAC name	azocan-1-yl-[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran-6-yl]methanone
Molecular weight	503.562
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.5
Synonyms	DHPC10_000990 SMR000389654 DHPC11_001111 CHEMBL1462559 azocan-1-yl((2R,4R)-2-(4-(hydroxymethyl)benzyloxy)-4-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-pyran-6-yl)methanone
Inchi Key	ABOLDSLNPDUTTK-JYFHCDHNSA-N
Inchi ID	InChI=1S/C28H32F3NO4/c29-28(30,31)24-12-10-22(11-13-24)23-16-25(27(34)32-14-4-2-1-3-5-15-32)36-26(17-23)35-19-21-8-6-20(18-33)7-9-21/h6-13,16,23,26,33H,1-5,14-15,17-19H2/t23-,26+/m0/s1
PubChem CID	16195787
ChEMBL	CHEMBL1462559
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	10000.0 nM	PubChem BioAssay data set	ChEMBL

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