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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	2-chloro-3-[(2-piperidinoethyl)amino]naphthoquinone
Molecular formula	C17H19ClN2O2
IUPAC name	2-chloro-3-(2-piperidin-1-ylethylamino)naphthalene-1,4-dione
Molecular weight	318.801
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.4
Synonyms	AC1NF8AS MS-1482 CHEMBL1541973 ZINC100548208 MCULE-7425619219 AKOS005107631 SR-01000308329 HMS2620E19 2-chloro-3-{[2-(piperidin-1-yl)ethyl]amino}-1,4-dihydronaphthalene-1,4-dione MolPort-002-886-622 SR-01000308329-1 135127-51-4 KS-000027ZO [ Show all ]
Inchi Key	AEEMKLGKYAOKOA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19ClN2O2/c18-14-15(19-8-11-20-9-4-1-5-10-20)17(22)13-7-3-2-6-12(13)16(14)21/h2-3,6-7,19H,1,4-5,8-11H2
PubChem CID	4679493
ChEMBL	CHEMBL1541973
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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