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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	MLS000076513
Molecular formula	C27H34N2O7
IUPAC name	(2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone;oxalic acid
Molecular weight	498.576
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	None
Synonyms	MLS000889475 AC1LCRI2 HMS2300L13 regid852245 SMR000012888 (2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid CHEMBL1451671 [ Show all ]
Inchi Key	AFNWBTRMYIHBIL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H32N2O3.C2H2O4/c1-29-23-10-6-9-22(24(23)30-2)25(28)27-17-15-26(16-18-27)21-13-11-20(12-14-21)19-7-4-3-5-8-19;3-1(4)2(5)6/h3-10,20-21H,11-18H2,1-2H3;(H,3,4)(H,5,6)
PubChem CID	654860
ChEMBL	CHEMBL1451671
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Potency	25118.9 nM	PubChem BioAssay data set	ChEMBL

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