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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	N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide
Molecular formula	C20H17N5OS2
IUPAC name	N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Molecular weight	407.51
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.8
Synonyms	MCULE-2591880070 ZINC2848071 AKOS000414653 N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CHEMBL1321699 SMR000076046 MLS000097398 AM-879/42240724 N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide HMS2378N20 STL358527 AC1M2W8G MolPort-002-266-652 [ Show all ]
Inchi Key	ADAMSUNAJBIMOO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H17N5OS2/c1-14-7-9-15(10-8-14)17-11-27-20(22-17)23-18(26)12-28-19-21-13-25(24-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,22,23,26)
PubChem CID	2202285
ChEMBL	CHEMBL1321699
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	631.0 nM	PubChem BioAssay data set	ChEMBL

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