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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	MLS000536105
Molecular formula	C17H11ClF3N3O3S2
IUPAC name	(5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular weight	461.858
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	5.2
Synonyms	(5Z)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone HMS2387P16 AC1M53MS SMR000155363 CHEMBL1416493 (5Z)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-thioxo-5-vanillylidene-thiazolidin-4-one BDBM72022 (5Z)-3-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one cid_2321190 (5Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one MLS002637452 [ Show all ]
Inchi Key	DYMWDFDNPDHJPE-ACAGNQJTSA-N
Inchi ID	InChI=1S/C17H11ClF3N3O3S2/c1-27-12-4-8(2-3-11(12)25)5-13-15(26)24(16(28)29-13)23-14-10(18)6-9(7-22-14)17(19,20)21/h2-7,25H,1H3,(H,22,23)/b13-5-
PubChem CID	2321190
ChEMBL	CHEMBL1416493
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Potency	12589.3 nM	PubChem BioAssay data set	ChEMBL

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