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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	AC1ME3YV
Molecular formula	C14H20N2O2
IUPAC name	5,6-dimethyl-8-(2-methylprop-1-enyl)-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione
Molecular weight	248.326
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.6
Synonyms	MolPort-001-898-317 AKOS022098994 SR-01000479557-1 467445-82-5 MCULE-6840088666 5,6-dimethyl-8-(2-methylprop-1-enyl)-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione SMR000140419 BAS 00459067 STL300806 5,6-dimethyl-8-(2-methyl-1-propen-1-yl)-2,3,4a,5,8,8a-hexahydro-1,4-phthalazinedione CHEMBL1459997 MLS000532981 SR-01000479557 Cambridge id 5473000 HMS2485L22 5,6-dimethyl-8-(2-methylprop-1-en-1-yl)-2,3,4a,5,8,8a-hexahydrophthalazine-1,4-dione [ Show all ]
Inchi Key	AGFYVJCJRQPJIS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H20N2O2/c1-7(2)5-10-6-8(3)9(4)11-12(10)14(18)16-15-13(11)17/h5-6,9-12H,1-4H3,(H,15,17)(H,16,18)
PubChem CID	2847622
ChEMBL	CHEMBL1459997
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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