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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	SMR000142584
Molecular formula	C24H26N2O7S
IUPAC name	methyl 2-[(5Z)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-1-yl]acetate
Molecular weight	486.539
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.8
Synonyms	CHEMBL1416473 ZINC32673070 methyl [3-(4-ethoxyphenyl)-4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1-imidazolidinyl]acetate AC1NWWGM MolPort-002-247-663 HMS2336I11 MLS000535148 methyl 2-[(5Z)-3-(4-ethoxyphenyl)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidin-1-yl]acetate MLS002541511 [ Show all ]
Inchi Key	AFIFBGJPRPVFJU-WQRHYEAKSA-N
Inchi ID	InChI=1S/C24H26N2O7S/c1-6-33-17-9-7-16(8-10-17)26-23(28)18(25(24(26)34)14-21(27)31-4)11-15-12-19(29-2)22(32-5)20(13-15)30-3/h7-13H,6,14H2,1-5H3/b18-11-
PubChem CID	5737580
ChEMBL	CHEMBL1416473
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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