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GLASS

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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	SMR000145689
Molecular formula	C23H15N3O5
IUPAC name	4-hydroxy-N-[2-hydroxy-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-yl]iminobenzamide
Molecular weight	413.389
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.6
Synonyms	4-Hydroxy-benzoic acid [2-oxo-1-(3-oxo-1,3-dihydro-isobenzofuran-1-yl)-1,2-dihydro-indol-(3Z)-ylidene]-hydrazide HMS2191O18 AC1OB46V MolPort-002-642-987 4-hydroxy-N'-[(3Z)-2-oxo-1-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide MCULE-3138225909 AKOS005695397 1164556-20-0 CHEMBL1584694 4-hydroxy-N-[[2-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)indol-3-ylidene]amino]benzamide MLS000551764 CHEBI:121462 STL041784 [ Show all ]
Inchi Key	AATPPZVLYNXMFT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H15N3O5/c27-14-11-9-13(10-12-14)20(28)25-24-19-17-7-3-4-8-18(17)26(21(19)29)22-15-5-1-2-6-16(15)23(30)31-22/h1-12,22,27,29H
PubChem CID	4891265
ChEMBL	CHEMBL1584694
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	3981.1 nM	PubChem BioAssay data set	ChEMBL

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