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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-[1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(4-methoxybenzyl)-N'-methylthiourea
Molecular formula	C20H20ClN3O3S
IUPAC name	1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]-3-methylthiourea
Molecular weight	417.908
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.9
Synonyms	AK-968/40344553 CHEMBL1379059 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]-3-methylthiourea MLS000544283 AKOS003793104 SMR000159614 HMS2348P21 AC1NPNAW MolPort-002-794-117 STK958135 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-(4-methoxybenzyl)-3-methylthiourea MCULE-2826826728 [ Show all ]
Inchi Key	ACBIVSGMHXXZHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20ClN3O3S/c1-22-20(28)23(12-13-3-9-16(27-2)10-4-13)17-11-18(25)24(19(17)26)15-7-5-14(21)6-8-15/h3-10,17H,11-12H2,1-2H3,(H,22,28)
PubChem CID	5206893
ChEMBL	CHEMBL1379059
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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