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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	MLS000087448
Molecular formula	C23H28N2O3
IUPAC name	(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
Molecular weight	380.488
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.6
Synonyms	7-methoxy-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]-4,5-dihydronaphtho[2,1-d]isoxazole EU-0057229 ST50674915 AKOS022032594 (7-methoxy-4,5-dihydrobenz[g]indoxazen-3-yl)-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone CHEMBL1610796 NCGC00047172-02 AC1MMSH6 HMS2429J24 BDBM71785 MLS001367879 7-methoxy(4,5-dihydronaphtho[2,1-d]isoxazol-3-yl) 1,3,3-trimethyl-6-azabicyclo [3.2.1]oct-6-yl ketone cid_3243720 SMR000023671 AKOS001798105 MCULE-4812567610 (7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)methanone MolPort-006-844-492 [ Show all ]
Inchi Key	ACSOCEKWTHPJOF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28N2O3/c1-22(2)10-15-11-23(3,12-22)13-25(15)21(26)19-18-7-5-14-9-16(27-4)6-8-17(14)20(18)28-24-19/h6,8-9,15H,5,7,10-13H2,1-4H3
PubChem CID	3243720
ChEMBL	CHEMBL1610796
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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