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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	SMR000042447
Molecular formula	C21H26ClN3
IUPAC name	4-(4-methylpiperazin-1-yl)-2,2-diphenylbutanenitrile;hydrochloride
Molecular weight	355.91
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	None
Synonyms	AC1O7F5G MLS000036783 MLS001306259 4-(4-methylpiperazin-1-yl)-2,2-diphenylbutanenitrile hydrochloride CHEMBL1390953 REGID_for_CID_6602812 [ Show all ]
Inchi Key	ADGURVUKWMPYJH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25N3.ClH/c1-23-14-16-24(17-15-23)13-12-21(18-22,19-8-4-2-5-9-19)20-10-6-3-7-11-20;/h2-11H,12-17H2,1H3;1H
PubChem CID	6602812
ChEMBL	CHEMBL1390953
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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