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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	MLS001006036
Molecular formula	C19H16N2O3S
IUPAC name	2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide
Molecular weight	352.408
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.1
Synonyms	2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide SMR000349145 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(2-phenoxyphenyl)acetamide HMS2722N22 AKOS017003580 MLS001006036-02 2-({[(2-phenoxyphenyl)carbamoyl]methyl}sulfanyl)pyridin-1-ium-1-olate CHEMBL1571839 Z18546523 721406-83-3 MLS-0254641.0001 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)ethanamide BDBM77791 MolPort-004-254-746 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-(2-phenoxyphenyl)acetamide cid_2342380 ZINC3224135 AC1M65TL [ Show all ]
Inchi Key	ADTUHYKLZVMHOT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16N2O3S/c22-18(14-25-19-12-6-7-13-21(19)23)20-16-10-4-5-11-17(16)24-15-8-2-1-3-9-15/h1-13H,14H2,(H,20,22)
PubChem CID	2342380
ChEMBL	CHEMBL1571839
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	12.6 nM	PubChem BioAssay data set	ChEMBL
Potency	1995.3 nM	PubChem BioAssay data set	ChEMBL

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