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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	MLS000766439
Molecular formula	C31H34N2O4
IUPAC name	(4-benzylpiperazin-1-yl)-[(2R,4R)-2-[[4-(hydroxymethyl)phenyl]methoxy]-4-phenyl-3,4-dihydro-2H-pyran-6-yl]methanone
Molecular weight	498.623
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.2
Synonyms	CHEMBL1312994 SMR000389636 BRD-K71823644-001-01-4 HMS2223M22 (4-benzylpiperazin-1-yl)((2R,4R)-2-(4-(hydroxymethyl)benzyloxy)-4-phenyl-3,4-dihydro-2H-pyran-6-yl)methanone
Inchi Key	ADYZRQHNPQJLDQ-MFMCTBQISA-N
Inchi ID	InChI=1S/C31H34N2O4/c34-22-25-11-13-26(14-12-25)23-36-30-20-28(27-9-5-2-6-10-27)19-29(37-30)31(35)33-17-15-32(16-18-33)21-24-7-3-1-4-8-24/h1-14,19,28,30,34H,15-18,20-23H2/t28-,30+/m0/s1
PubChem CID	16195729
ChEMBL	CHEMBL1312994
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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