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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	4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine
Molecular formula	C14H23N5O
IUPAC name	4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine
Molecular weight	277.372
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.0
Synonyms	AKOS000549556 MCULE-5478514203 CHEBI:109819 SMR000012255 HMS2179G22 BAS 03357967 MLS000026829 2-(4-Morpholinyl)-4-methyl-6-(4-methyl-1-piperazinyl)pyrimidine STK537218 AC1LDH1N J3.528.915A Cambridge id 6742137 MolPort-001-848-275 4-[4-Methyl-6-(4-methyl-piperazin-1-yl)-pyrimidin-2-yl]-morpholine CHEMBL1381010 ZINC73496 [ Show all ]
Inchi Key	BMBIEKJDTGAZCY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H23N5O/c1-12-11-13(18-5-3-17(2)4-6-18)16-14(15-12)19-7-9-20-10-8-19/h11H,3-10H2,1-2H3
PubChem CID	647957
ChEMBL	CHEMBL1381010
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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