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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	MLS000090902
Molecular formula	C19H21NO4
IUPAC name	2-methoxyethyl 3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate
Molecular weight	327.38
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.6
Synonyms	3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methoxyethyl ester CHEMBL1576132 SR-01000094407-1 AC1MMJOK MCULE-6761750003 2-methoxyethyl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate BDBM31065 SMR000025505 cid_3239810 ST50641877 2-methoxyethyl 3-methyl-4-oxidanylidene-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate AKOS003368459 2-methoxyethyl 3-methyl-4-oxo-6-phenyl-5,6,7-trihydroindole-2-carboxylate SR-01000094407 4-keto-3-methyl-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methoxyethyl ester HMS2295G13 STK405198 2-methoxyethyl 3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate AKOS022032684 MolPort-000-910-062 [ Show all ]
Inchi Key	AQLXIJYAVMSMFH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21NO4/c1-12-17-15(20-18(12)19(22)24-9-8-23-2)10-14(11-16(17)21)13-6-4-3-5-7-13/h3-7,14,20H,8-11H2,1-2H3
PubChem CID	3239810
ChEMBL	CHEMBL1576132
IUPHAR	N/A
BindingDB	31065
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	7943.3 nM	PubChem BioAssay data set	ChEMBL

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