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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	AC1LXTED
Molecular formula	C19H11NO4S2
IUPAC name	(5Z)-5-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular weight	381.42
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.8
Synonyms	(5Z)-5-[(6-hydroxy-4-keto-chromen-3-yl)methylene]-3-phenyl-2-thioxo-thiazolidin-4-one BDBM84390 STK574230 (Z)-5-((6-hydroxy-4-oxo-4H-chromen-3-yl)methylene)-3-phenyl-2-thioxothiazolidin-4-one cid_1857878 MolPort-002-640-983 (5Z)-5-[(6-hydroxy-4-oxo-4H-chromen-3-yl)methylidene]-3-phenyl-2-thioxo-1,3-thiazolidin-4-one ZINC2226048 5-[1-(6-Hydroxy-4-oxo-4H-chromen-3-yl)-meth-(Z)-ylidene]-3-phenyl-2-thioxo-thiazolidin-4-one HMS2768C19 AKOS005498946 SMR000221488 (5Z)-5-[(6-hydroxy-4-oxochromen-3-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one CHEMBL1610416 896836-74-1 MLS000332025 [ Show all ]
Inchi Key	ADTOQDFJFAQTAP-PXNMLYILSA-N
Inchi ID	InChI=1S/C19H11NO4S2/c21-13-6-7-15-14(9-13)17(22)11(10-24-15)8-16-18(23)20(19(25)26-16)12-4-2-1-3-5-12/h1-10,21H/b16-8-
PubChem CID	1857878
ChEMBL	CHEMBL1610416
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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