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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	SMR000151229
Molecular formula	C26H32N4O2
IUPAC name	N-[[3-[(2,3-dihydroindole-1-carbonylamino)methyl]cyclohexyl]methyl]-2,3-dihydroindole-1-carboxamide
Molecular weight	432.568
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.0
Synonyms	731816-56-1 MCULE-8173305931 Z44602385 MolPort-004-029-970 HMS2395N15 AC1N1MAR MLS000572131 CHEMBL1308130 N-[(3-{[(2,3-dihydro-1H-indole-1-carbonyl)amino]methyl}cyclohexyl)methyl]-2,3-dihydro-1H-indole-1-carboxamide indolinyl-N-({3-[(indolinylcarbonylamino)methyl]cyclohexyl}methyl)carboxamide ST51045344 AKOS024390216 MLS002634270 HMS1768B07 N-[[3-[(2,3-dihydroindole-1-carbonylamino)methyl]cyclohexyl]methyl]-2,3-dihydroindole-1-carboxamide [ Show all ]
Inchi Key	ADQOQDWLPPQSFQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H32N4O2/c31-25(29-14-12-21-8-1-3-10-23(21)29)27-17-19-6-5-7-20(16-19)18-28-26(32)30-15-13-22-9-2-4-11-24(22)30/h1-4,8-11,19-20H,5-7,12-18H2,(H,27,31)(H,28,32)
PubChem CID	4032625
ChEMBL	CHEMBL1308130
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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