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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	SMR000019649
Molecular formula	C25H29N3O4S
IUPAC name	ethyl 1-[[2-(furan-2-carbonylamino)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethyl]piperidine-4-carboxylate
Molecular weight	467.584
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.1
Synonyms	MolPort-000-226-593 BDBM31031 ethyl 1-[{2-[(furan-2-ylcarbonyl)amino]-4,5-dimethylthiophen-3-yl}(pyridin-3-yl)methyl]piperidine-4-carboxylate STL487521 cid_3245442 HMS2427I04 MLS000085109-02 AKOS000808919 ethyl 1-[[2-(furan-2-carbonylamino)-4,5-dimethylthiophen-3-yl]-pyridin-3-ylmethyl]piperidine-4-carboxylate 1-[[2-(2-furoylamino)-4,5-dimethyl-3-thienyl]-(3-pyridyl)methyl]isonipecotic acid ethyl ester ethyl 1-{[2-(2-furylcarbonylamino)-4,5-dimethyl(3-thienyl)]-3-pyridylmethyl}pi peridine-4-carboxylate 618404-65-2 ethyl 1-((2-(furan-2-carboxamido)-4,5-dimethylthiophen-3-yl)(pyridin-3-yl)methyl)piperidine-4-carboxylate MCULE-3983104503 MLS002585297 AKOS016074485 ethyl 1-[[2-(furan-2-ylcarbonylamino)-4,5-dimethyl-thiophen-3-yl]-pyridin-3-yl-methyl]piperidine-4-carboxylate ST50073017 1-[[2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethyl-3-thiophenyl]-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid ethyl ester CHEMBL1477013 F1396-0115 MLS000085109 AC1MMWBN ethyl 1-[[2-(2-furoylamino)-4,5-dimethylthien-3-yl](pyridin-3-yl)methyl]piperidine-4-carboxylate [ Show all ]
Inchi Key	FYETUTFFCYTDPF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H29N3O4S/c1-4-31-25(30)18-9-12-28(13-10-18)22(19-7-5-11-26-15-19)21-16(2)17(3)33-24(21)27-23(29)20-8-6-14-32-20/h5-8,11,14-15,18,22H,4,9-10,12-13H2,1-3H3,(H,27,29)
PubChem CID	3245442
ChEMBL	CHEMBL1477013
IUPHAR	N/A
BindingDB	31031
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	1000.0 nM	PubChem BioAssay data set	ChEMBL
Potency	3462.0 nM	PubChem BioAssay data set	ChEMBL
Potency	10000.0 nM	PubChem BioAssay data set	ChEMBL
Potency	12589.3 nM	PubChem BioAssay data set	ChEMBL
Potency	3462000.0 nM	PubChem BioAssay data set	ChEMBL

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