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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	3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
Molecular formula	C11H7ClF4N2
IUPAC name	3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazole
Molecular weight	278.635
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.8
Synonyms	ZINC5095272 HMS2809N19 3-(4-chlorophenyl)-5-(1,1,2,2-tetrafluoroethyl)pyrazole MolPort-000-813-066 ST034306 3-(4-Chloro-phenyl)-5-(1,1,2,2-tetrafluoro-ethyl)-1H-pyrazole MCULE-6965892006 AC1LFBL5 MolPort-001-684-249 STK806362 CHEMBL1385385 MLS000767833 AKOS005608165 SMR000430162 [ Show all ]
Inchi Key	AAKQZDCEBUKFHD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H7ClF4N2/c12-7-3-1-6(2-4-7)8-5-9(18-17-8)11(15,16)10(13)14/h1-5,10H,(H,17,18)
PubChem CID	800359
ChEMBL	CHEMBL1385385
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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