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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS001002995
Molecular formula	C21H21N3O4S2
IUPAC name	N-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide
Molecular weight	443.536
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.4
Synonyms	N-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanyl-ethanamide Oprea1_082159 HMS2758G18 N-[4-(4-morpholinylsulfonyl)phenyl]-2-(8-quinolinylthio)acetamide SR-01000088385-1 503036-56-4 N-[4-(morpholin-4-ylsulfonyl)phenyl]-2-(quinolin-8-ylthio)acetamide Z56896726 AKOS001044574 CHEMBL1382320 N-(4-morpholin-4-ylsulfonylphenyl)-2-quinolin-8-ylsulfanylacetamide SMR000372646 MCULE-9726245195 N-[4-(morpholin-4-ylsulfonyl)phenyl]-2-(8-quinolylthio)acetamide ST50134633 MolPort-000-489-413 N-[4-(morpholine-4-sulfonyl)phenyl]-2-(quinolin-8-ylsulfanyl)acetamide ZINC9403200 BDBM80031 cid_4261263 N-(4-morpholinosulfonylphenyl)-2-(8-quinolylthio)acetamide SR-01000088385 MLS-0303942.0001 N-[4-(morpholin-4-ylsulfonyl)phenyl]-2-(quinolin-8-ylsulfanyl)acetamide STL362895 AC1N6K2X [ Show all ]
Inchi Key	QPVPCRMOVBLWQG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21N3O4S2/c25-20(15-29-19-5-1-3-16-4-2-10-22-21(16)19)23-17-6-8-18(9-7-17)30(26,27)24-11-13-28-14-12-24/h1-10H,11-15H2,(H,23,25)
PubChem CID	4261263
ChEMBL	CHEMBL1382320
IUPHAR	N/A
BindingDB	80031
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	25118.9 nM	PubChem BioAssay data set	ChEMBL

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