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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	SMR000178156
Molecular formula	C18H11N3O4
IUPAC name	2-(4-methylpyridin-2-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione
Molecular weight	333.303
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.2
Synonyms	2-(4-methylpyridin-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione CHEMBL1419909 STK223634 2-(4-methyl-2-pyridinyl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione AC1LE1H2 HMS2483K11 2-(4-Methyl-pyridin-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione BDBM50940 MolPort-000-782-316 2-(4-methylpyridin-2-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione cid_704848 ZINC89171 2-(4-methyl-2-pyridinyl)-6-nitrobenzo[de]isoquinoline-1,3-dione AKOS000645207 MCULE-4179743222 2-(4-methylpyridin-2-yl)-6-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione 690670-06-5 EU-0013601 2-(4-methyl-2-pyridyl)-6-nitro-benzo[de]isoquinoline-1,3-quinone BAS 04380568 MLS000568285 [ Show all ]
Inchi Key	ABGNBUFUIFDYCP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H11N3O4/c1-10-7-8-19-15(9-10)20-17(22)12-4-2-3-11-14(21(24)25)6-5-13(16(11)12)18(20)23/h2-9H,1H3
PubChem CID	704848
ChEMBL	CHEMBL1419909
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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