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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	AC1ND9AI
Molecular formula	C19H18N2O2S
IUPAC name	2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide
Molecular weight	338.425
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.0
Synonyms	CHEMBL1602227 MLS000516184 2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanyl]propanamide AKOS000817885 SMR000342426 HMS2647O11 785802-06-4 MolPort-003-207-534 Z15370783 MCULE-9897717352 2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanamide SCHEMBL16294792 [ Show all ]
Inchi Key	AHXSRSHNHXYFSK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18N2O2S/c1-12(19(20)22)24-18-11-16(13-6-4-3-5-7-13)15-9-8-14(23-2)10-17(15)21-18/h3-12H,1-2H3,(H2,20,22)
PubChem CID	4571607
ChEMBL	CHEMBL1602227
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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