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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	2-(3,4-Dimethoxyphenyl)-1H-indene-1,3(2H)-dione
Molecular formula	C17H14O4
IUPAC name	2-(3,4-dimethoxyphenyl)indene-1,3-dione
Molecular weight	282.295
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.9
Synonyms	2-(3,4-dimethoxyphenyl)-2H-indene-1,3-dione ALBB-014253 HMS2592F08 R2237 2-(3,4-Dimethoxy-phenyl)-indan-1,3-dione 4484AD MLS000719864 SR-01000389277-1 2-(3,4-Dimethoxyphenyl)-1H-indene-1,3(2H)-dione # AC1Q4C9O DTXSID10309733 NSC215219 1470-38-8 2-(3,4-dimethoxyphenyl)indane-1,3-quinone BDBM33868 Indane-1,3-dione, 2-(3,4-dimethoxyphenyl)- SMR000304393 2-(3,4-Dimethoxyphenyl)-1,3-indandione ABMVPHQMDUVUSM-UHFFFAOYSA-N CHEMBL41920 MolPort-001-013-917 ZINC100152256 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-indene-1,3-dione AKOS001483192 HMS1607O19 Oprea1_429856 1H-Indene-1,3(2H)-dione, 2-(3,4-dimethoxyphenyl)- 2-(3,4-dimethoxyphenyl)indene-1,3-dione CCG-103157 MCULE-6699248210 SR-01000389277 AC1L7HKT cid_310608 NSC-215219 ZX-AN012982 [ Show all ]
Inchi Key	ABMVPHQMDUVUSM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H14O4/c1-20-13-8-7-10(9-14(13)21-2)15-16(18)11-5-3-4-6-12(11)17(15)19/h3-9,15H,1-2H3
PubChem CID	310608
ChEMBL	CHEMBL41920
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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