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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	MLS000071942
Molecular formula	C27H31N7O
IUPAC name	3-[(1-cyclopentyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
Molecular weight	469.593
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.7
Synonyms	3-[(1-cyclopentyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one cid_650853 AKOS000695835 3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-7-methyl-1H-quinolin-2-one SMR000002493 3-[(1-cyclopentyltetrazol-5-yl)-(4-phenylpiperazino)methyl]-7-methyl-carbostyril HMS2421J14 ASN 03777400 MLS000889163 3-[(1-cyclopentyl-5-tetrazolyl)-(4-phenyl-1-piperazinyl)methyl]-7-methyl-1H-quinolin-2-one CHEMBL1484665 AC1LCIQK MCULE-9138068606 3-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one BDBM41755 Oprea1_257143 [ Show all ]
Inchi Key	ADHPEXKPDZDCGO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H31N7O/c1-19-11-12-20-18-23(27(35)28-24(20)17-19)25(26-29-30-31-34(26)22-9-5-6-10-22)33-15-13-32(14-16-33)21-7-3-2-4-8-21/h2-4,7-8,11-12,17-18,22,25H,5-6,9-10,13-16H2,1H3,(H,28,35)
PubChem CID	650853
ChEMBL	CHEMBL1484665
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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