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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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Go to the ligand page and check other GPCRs which it interacts with.
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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	AC1LDEGG
Molecular formula	C19H18N2O5
IUPAC name	3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
Molecular weight	354.362
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.7
Synonyms	AKOS000570571 MolPort-002-001-779 CCG-21636 4-(Furan-2-carbonyl)-3-hydroxy-5-pyridin-3-yl-1-(tetrahydro-furan-2-ylmethyl)-1, HMS2340J17 AKOS022003404 UNM000003576001 MCULE-4898757898 BAS 05541673 CHEMBL1535358 [ Show all ]
Inchi Key	BAFMZRSIUKAOJC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18N2O5/c22-17(14-6-3-9-26-14)15-16(12-4-1-7-20-10-12)21(19(24)18(15)23)11-13-5-2-8-25-13/h1,3-4,6-7,9-10,13,16,23H,2,5,8,11H2
PubChem CID	646794
ChEMBL	CHEMBL1535358
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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