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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	MLS000089738
Molecular formula	C18H21N7O3
IUPAC name	propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylate
Molecular weight	383.412
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	1.5
Synonyms	BDBM37688 CHEMBL1568452 propan-2-yl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2,3-triazole-4-carboxylate 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-triazolecarboxylic acid propan-2-yl ester isopropyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-1H-1,2,3-triazole-4-carboxylate SR-01000457155-1 AC1LKH78 CCG-18121 Oprea1_058712 cid_1043390 SMR000024356 1-(4-aminofurazan-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylic acid isopropyl ester MCULE-2712630522 ZINC27531504 AKOS001616433 propan-2-yl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)triazole-4-carboxylate HMS2508M06 SR-01000457155 [ Show all ]
Inchi Key	AXTPHIGRLIBRCH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21N7O3/c1-11(2)27-18(26)15-14(25(23-20-15)17-16(19)21-28-22-17)10-24-8-7-12-5-3-4-6-13(12)9-24/h3-6,11H,7-10H2,1-2H3,(H2,19,21)
PubChem CID	1043390
ChEMBL	CHEMBL1568452
IUPHAR	N/A
BindingDB	37688
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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