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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	MLS001029500
Molecular formula	C19H16N2O5
IUPAC name	N-(2,2-dimethoxyethyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide
Molecular weight	352.346
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.0
Synonyms	AC1LZ8NG ZINC2295969 Oprea1_634990 HMS2812H20 SR-01000759955-2 AKOS005463357 MolPort-002-559-633 CHEMBL1496231 SMR000425485 6-Oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylic acid (2,2-dimethoxy-ethyl)-amide MCULE-8933250056 STK530558 BDBM51236 N-(2,2-dimethoxyethyl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxamide cid_1916369 SR-01000759955 [ Show all ]
Inchi Key	HGMKBBRZPVVVKX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16N2O5/c1-24-14(25-2)9-20-19(23)13-8-7-12-15-16(13)21-26-18(15)11-6-4-3-5-10(11)17(12)22/h3-8,14H,9H2,1-2H3,(H,20,23)
PubChem CID	1916369
ChEMBL	CHEMBL1496231
IUPHAR	N/A
BindingDB	51236
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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