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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	MLS000072765
Molecular formula	C23H26N4O4S
IUPAC name	7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione
Molecular weight	454.545
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.8
Synonyms	7-[2-hydroxy-3-(1-naphthoxy)propyl]-8-(isobutylthio)-3-methyl-xanthine Oprea1_155194 3-methyl-8-(2-methylpropylsulfanyl)-7-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)purine-2,6-dione AC1LCTK8 HMS2308B22 ST50246076 7-(2-hydroxy-3-naphthyloxypropyl)-3-methyl-8-(2-methylpropylthio)-1,3,7-trihyd ropurine-2,6-dione BAS 01107459 MolPort-000-783-044 7-[2-Hydroxy-3-(naphthalen-1-yloxy)-propyl]-8-isobutylsulfanyl-3-methyl-3,7-dihydro-purine-2,6-dione CHEMBL1299291 Oprea1_564149 303970-93-6 AKOS000578084 MCULE-8438348849 STK025203 7-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-3-methyl-8-(2-methylpropylthio)purine-2,6-dione BDBM48317 MolPort-001-955-213 7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-8-[(2-methylpropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione cid_655809 SMR000009991 7-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione AKOS022082193 [ Show all ]
Inchi Key	AEZZDPHKXMCIQN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N4O4S/c1-14(2)13-32-23-24-20-19(21(29)25-22(30)26(20)3)27(23)11-16(28)12-31-18-10-6-8-15-7-4-5-9-17(15)18/h4-10,14,16,28H,11-13H2,1-3H3,(H,25,29,30)
PubChem CID	655809
ChEMBL	CHEMBL1299291
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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