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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	845808-35-7
Molecular formula	C25H27N3O5
IUPAC name	4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
Molecular weight	449.507
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.6
Synonyms	MolPort-000-481-242 AC1LDAFP Z335451150 HMS2472C04 3-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-4-(5-methylfuran-2-carbonyl)-5-[4-(propan-2-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one ST50119122 AKOS002222042 CHEMBL1374204 1-(3-(1H-imidazol-1-yl)propyl)-3-hydroxy-5-(4-isopropoxyphenyl)-4-(5-methylfuran-2-carbonyl)-1H-pyrrol-2(5H)-one MLS001074033 VU0605623-1 AKOS016304012 F3226-1855 3-hydroxy-1-(3-imidazolylpropyl)-4-[(5-methyl(2-furyl))carbonyl]-5-[4-(methyle thoxy)phenyl]-3-pyrrolin-2-one [ Show all ]
Inchi Key	AZXVHGLYSPMUHG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H27N3O5/c1-16(2)32-19-8-6-18(7-9-19)22-21(23(29)20-10-5-17(3)33-20)24(30)25(31)28(22)13-4-12-27-14-11-26-15-27/h5-11,14-16,22,30H,4,12-13H2,1-3H3
PubChem CID	663879
ChEMBL	CHEMBL1374204
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	10000.0 nM	PubChem BioAssay data set	ChEMBL

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