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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	2,4-Dichlorobenzyl 4-methyl-6-morpholino-2-pyrimidinyl sulfide
Molecular formula	C16H17Cl2N3OS
IUPAC name	4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine
Molecular weight	370.292
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.3
Synonyms	4-(2-(2,4-dichlorobenzylthio)-6-methylpyrimidin-4-yl)morpholine CHEBI:114588 MolPort-002-877-770 4-{2-[(2,4-dichlorobenzyl)sulfanyl]-6-methyl-4-pyrimidinyl}morpholine HMS2274F12 ZB017264 AKOS005100966 MCULE-1622689876 4-(2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-6-methylpyrimidin-4-yl)morpholine Oprea1_089306 7M-826 HMS575C09 ZINC1398317 339017-82-2 Bionet1_002367 MLS000326200 4-[2-[(2,4-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]morpholine CHEMBL1529571 SMR000170318 AC1LS9PE KS-00003D7M [ Show all ]
Inchi Key	AGCSFEMNYLPWSY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17Cl2N3OS/c1-11-8-15(21-4-6-22-7-5-21)20-16(19-11)23-10-12-2-3-13(17)9-14(12)18/h2-3,8-9H,4-7,10H2,1H3
PubChem CID	1484540
ChEMBL	CHEMBL1529571
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	12589.3 nM	PubChem BioAssay data set	ChEMBL

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