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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	MLS000778612
Molecular formula	C18H16N2O5S3
IUPAC name	N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzenesulfonamide
Molecular weight	436.515
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.8
Synonyms	N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzenesulfonamide CHEMBL1392012 SMR000415406 5-[(4-hydroxy-3-methoxyphenyl)methylene]-3-{[(4-methylphenyl)sulfonyl]amino}-2 -thioxo-1,3-thiazolidin-4-one ZINC2451973 BDBM54096 N-[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-methylbenzenesulfonamide N-[(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-methylbenzenesulfonamide cid_2047042 ST50158543 AC1M1DRH MolPort-000-401-928 N-[(5Z)-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methyl-benzenesulfonamide N-{5-[1-(4-Hydroxy-3-methoxy-phenyl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-4-methyl-benze nesulfonamide 359898-57-0 HMS2748G05 STK995357 AKOS002216749 N-[(5Z)-4-keto-2-thioxo-5-vanillylidene-thiazolidin-3-yl]-4-methyl-benzenesulfonamide [ Show all ]
Inchi Key	DJRZIPLCKFJXHA-YBEGLDIGSA-N
Inchi ID	InChI=1S/C18H16N2O5S3/c1-11-3-6-13(7-4-11)28(23,24)19-20-17(22)16(27-18(20)26)10-12-5-8-14(21)15(9-12)25-2/h3-10,19,21H,1-2H3/b16-10-
PubChem CID	2047042
ChEMBL	CHEMBL1392012
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	5011.9 nM	PubChem BioAssay data set	ChEMBL

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