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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	Enamine_005764
Molecular formula	C23H21N3O2S
IUPAC name	N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
Molecular weight	403.5
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	CHEMBL1432530 N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide HMS2342G24 Z56807462 AKOS034457006 MLS000569392 N-benzyl-N-(2-hydroxyethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide 380442-66-0 IDI1_007999 ZINC3217375 MolPort-003-998-460 HMS1410F22 SMR000155032 AC1M5U1T MCULE-8270384234 [ Show all ]
Inchi Key	AGFZURJKVLBPDF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21N3O2S/c27-14-13-25(16-18-8-3-1-4-9-18)23(28)20-17-26(19-10-5-2-6-11-19)24-22(20)21-12-7-15-29-21/h1-12,15,17,27H,13-14,16H2
PubChem CID	2336056
ChEMBL	CHEMBL1432530
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	19952.6 nM	PubChem BioAssay data set	ChEMBL

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