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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	SMR000060129
Molecular formula	C19H20N2O5
IUPAC name	ethyl 5-[5-(2,4-dihydroxy-5-propylphenyl)-1H-pyrazol-4-yl]furan-2-carboxylate
Molecular weight	356.378
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.8
Synonyms	5-[(3Z)-3-(4-hydroxy-6-keto-3-propyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-4-yl]furan-2-carboxylic acid ethyl ester HMS2488F16 AC1NTFTA ethyl 5-[(3Z)-3-(4-hydroxy-6-oxo-3-propylcyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]furan-2-carboxylate Oprea1_317137 AKOS001036615 ethyl 5-[3-(4-hydroxy-6-oxo-3-propylcyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]furan-2-carboxylate 5-[(3Z)-3-(4-hydroxy-6-oxo-3-propyl-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]-2-furancarboxylic acid ethyl ester CHEMBL1541596 MLS000055604 AC1OA5YE ethyl 5-[(3Z)-3-(4-oxidanyl-6-oxidanylidene-3-propyl-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]furan-2-carboxylate Oprea1_690537 BDBM61793 HMS1768L06 ZINC13126196 cid_5428930 MLS002637231 AC1Q2USO ethyl 5-[3-(2,4-dihydroxy-5-propylphenyl)-1H-pyrazol-4-yl]furan-2-carboxylate SCHEMBL14396168 [ Show all ]
Inchi Key	HKTSJOVFAVYHKL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20N2O5/c1-3-5-11-8-12(15(23)9-14(11)22)18-13(10-20-21-18)16-6-7-17(26-16)19(24)25-4-2/h6-10,22-23H,3-5H2,1-2H3,(H,20,21)
PubChem CID	984148
ChEMBL	CHEMBL1541596
IUPHAR	N/A
BindingDB	61793
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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