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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	MLS000705957
Molecular formula	C22H20N2O4
IUPAC name	9-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione
Molecular weight	376.412
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	1.3
Synonyms	9-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-phenethyl-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione cid_998883 SR-01000112808-1 AH-262/41702235 SMR000226463 9-(3,6-dioxo-1-cyclohexa-1,4-dienyl)-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione 9-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione HMS2608A11 AKOS001684448 Opera_ID_1850 9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-quinone CHEMBL1522846 SR-01000112808 9-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione AC1LKUHZ MCULE-1744951399 BDBM42248 REGID_for_CID_998883 9-(3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(2-phenylethyl)-7,8-dihydro-2H-pyrido[1,2-a]pyrazine-1,4(3H,6H)-dione [ Show all ]
Inchi Key	BUOLDNZXUBADKY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H20N2O4/c25-16-8-9-19(26)18(13-16)17-7-4-11-24-20(27)14-23(22(28)21(17)24)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2
PubChem CID	998883
ChEMBL	CHEMBL1522846
IUPHAR	N/A
BindingDB	42248
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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