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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	Methoctramine
Molecular formula	C36H66Cl4N4O2
IUPAC name	N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine;tetrahydrochloride
Molecular weight	728.75
Hydrogen bond acceptor	6
Hydrogen bond donor	8
XlogP	None
Synonyms	M-105 N,N'-Bis{6-[(2-methoxybenzyl)amino]hexyl}-1,8-octanediamine tetrahydrochloride SR-01000075328-1 EU-0100862 METHOCTRAMINE HYDROCHLORIDE N1,N1'-(octane-1,8-diyl)bis(N6-(2-methoxybenzyl)hexane-1,6-diamine) tetrahydrochloride 1,8-Octanediamine, N,N'-bis(6-(((2-methoxyphenyl)methyl)amino)hexyl)-, tetrahydrochloride LP00862 N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine tetrahydrochloride RLO2T99XT3 CCG-222166 CHEMBL500996 N,N'-bis{6-[(2-methoxybenzyl)amino]hexyl}octane-1,8-diamine tetrahydrochloride Tox21_500862 J-001258 Methoctramine tetrahydrochloride NCGC00094187-01 104807-46-7 LS-186869 N,N'-bis[6-[[(2-Methoxyphenyl)methyl]amino]hexyl]1,8-octane diamine tetrahydrochloride SR-01000075328 CHEBI:73452 DTXSID40146754 Methoctramine hemihydrate N,N'-bis{6-[(2-methoxybenzyl)azaniumyl]hexyl}octane-1,8-diaminium tetrachloride UNII-RLO2T99XT3 KB-300124 N,N'-Bis(6-((2-methoxybenzyl)amino)hexyl)-1,8-octanediamine tetrahydrochloride NCGC00261547-01 AC1L32PA [ Show all ]
Inchi Key	CDKGGOUDHGSFAF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H62N4O2.4ClH/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2;;;;/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3;4*1H
PubChem CID	107759
ChEMBL	CHEMBL500996
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Potency	12589.3 nM	PubChem BioAssay data set	ChEMBL

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