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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	NSC309874
Molecular formula	C26H23ClN2OS
IUPAC name	3-chloro-N-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]-1-benzothiophene-2-carboxamide
Molecular weight	446.993
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.6
Synonyms	MLS000757035 3-chloro-N-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]-1-benzothiophene-2-carboxamide CHEMBL1527622 3-chloro-N-(2-((2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)phenyl)-1-benzothiophene-2-carboxamide NCI60_002657 AC1L73N5 SCHEMBL15537363 HMS2886G11 3-Chloro-N-(2-((2-methyl-1,3,4-tetrahydroisoquinolin-1-yl)methyl)phenyl)benzo[b]thiophene-2-carboxamide NSC-309874 SMR000528910 [ Show all ]
Inchi Key	ACKAQJBYLPLIOW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H23ClN2OS/c1-29-15-14-17-8-2-4-10-19(17)22(29)16-18-9-3-6-12-21(18)28-26(30)25-24(27)20-11-5-7-13-23(20)31-25/h2-13,22H,14-16H2,1H3,(H,28,30)
PubChem CID	328910
ChEMBL	CHEMBL1527622
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	12589.3 nM	PubChem BioAssay data set	ChEMBL

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