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GLASS

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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	isopropyl 2-[4-(3-chlorophenyl)piperazino]nicotinate
Molecular formula	C19H22ClN3O2
IUPAC name	propan-2-yl 2-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-3-carboxylate
Molecular weight	359.854
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.2
Synonyms	2-[4-(3-chlorophenyl)piperazino]nicotinic acid isopropyl ester CHEMBL1518264 Propan-2-yl 2-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-3-carboxylate SR-01000308146-1 AC1MX1LE CHEBI:112403 MLS000763673 400825-60-7 cid_3783311 SMR000337259 ZINC20389142 AKOS005097549 KS-00001YAL 2-[4-(3-chlorophenyl)-1-piperazinyl]-3-pyridinecarboxylic acid propan-2-yl ester MolPort-002-874-091 6G-472S HMS2587J20 SR-01000308146 BDBM57911 MCULE-5559619359 [ Show all ]
Inchi Key	AEBHMQALVKZIOJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22ClN3O2/c1-14(2)25-19(24)17-7-4-8-21-18(17)23-11-9-22(10-12-23)16-6-3-5-15(20)13-16/h3-8,13-14H,9-12H2,1-2H3
PubChem CID	3783311
ChEMBL	CHEMBL1518264
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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