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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	SMR000095425
Molecular formula	C19H21N3O5S2
IUPAC name	1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
Molecular weight	435.513
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.5
Synonyms	AKOS001819278 SR-01000132703 CHEMBL1483223 1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide MLS002587739 CCG-30415 SR-01000132703-1 HMS2255H14 AC1NSBZC MLS000118484 [ Show all ]
Inchi Key	AFFBOOQKRVZPRX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N3O5S2/c1-21-16-7-6-15(10-17(16)27-19(21)24)29(25,26)22-8-2-4-13(12-22)18(23)20-11-14-5-3-9-28-14/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,20,23)
PubChem CID	5307170
ChEMBL	CHEMBL1483223
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	1258.9 nM	PubChem BioAssay data set	ChEMBL

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