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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	NCGC00016051-01
Molecular formula	C13H8N4O3
IUPAC name	(3Z)-3-amino-4-(3,4,5-trihydroxyphenyl)buta-1,3-diene-1,1,4-tricarbonitrile
Molecular weight	268.232
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	0.2
Synonyms	NCGC00016051-04 EU-0101231 Lopac0_001231 NCGC00261916-01 (3Z)-3-amino-4-(3,4,5-trihydroxyphenyl)buta-1,3-diene-1,1,4-tricarbonitrile NCGC00016051-02 T 7665 HMS3263H04 NCGC00094473-01 LP01231 SR-01000076175 AC1O7G7I NCGC00016051-03 Tox21_501231 CHEMBL1376723 Lopac-T-7665 NCGC00094473-02 SR-01000076175-1 CCG-205305 [ Show all ]
Inchi Key	AURCEVGZZLSFSU-MDZDMXLPSA-N
Inchi ID	InChI=1S/C13H8N4O3/c14-4-7(5-15)1-10(17)9(6-16)8-2-11(18)13(20)12(19)3-8/h1-3,18-20H,17H2/b10-9+
PubChem CID	6604029
ChEMBL	CHEMBL1376723
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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