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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	MLS000526436
Molecular formula	C18H31N3S
IUPAC name	[(E)-1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]thiourea
Molecular weight	321.527
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.7
Synonyms	AKOS022087502 MolPort-001-936-684 [1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]thiourea C18H31N3S 1-[1-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)propan-2-ylideneamino]thiourea cid_2854355 BAS 00511870 SMR000116910 [[1-methyl-2-(3,3,5,5-tetramethyl-1,2,4,6,7,8-hexahydronaphthalen-2-yl)ethylidene]amino]thiourea AKOS000621410 BDBM79972 STK860027 (2E)-2-[1-(3,3,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)propan-2-ylidene]hydrazinecarbothioamide CHEMBL3189272 [ Show all ]
Inchi Key	AAODAXBGVQWVMB-UDWIEESQSA-N
Inchi ID	InChI=1S/C18H31N3S/c1-12(20-21-16(19)22)9-14-10-13-7-6-8-17(2,3)15(13)11-18(14,4)5/h14H,6-11H2,1-5H3,(H3,19,21,22)/b20-12+
PubChem CID	9554433
ChEMBL	CHEMBL3189272
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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