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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	MLS000419234
Molecular formula	C20H13FN2O3
IUPAC name	2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
Molecular weight	348.333
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.6
Synonyms	AB00615433-02 CHEMBL1368254 SMR000319898 AC1N5149 HMS2685O04 2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide [ Show all ]
Inchi Key	BZXHNNQBAGEBMR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H13FN2O3/c1-11-10-16(23-19(24)12-6-2-4-8-14(12)21)22-18-13-7-3-5-9-15(13)26-20(25)17(11)18/h2-10H,1H3,(H,22,23,24)
PubChem CID	4137748
ChEMBL	CHEMBL1368254
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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