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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.
Go to the GPCR page and check other ligands which interact with it.
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GPCR

Name	Muscarinic acetylcholine receptor M2
Species	Homo sapiens (Human)
Gene	CHRM2
Synonym	cholinergic receptor AChR M2 M2 muscarinic acetylcholine receptor M2 receptor Chrm-2 cholinergic receptor, muscarinic 2, cardiac cholinergic receptor, muscarinic 2 [ Show all ]
Disease	Urinary incontinence Heart failure Nausea; Addiction Parkinson's disease Peptic ulcer Stabilize muscle contractions Unspecified Cardiovascular disorder Asthma Alzheimer disease [ Show all ]
Length	466
Amino acid sequence	MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProt	P08172
Protein Data Bank	5zkc, 4mqs, 4mqt, 5yc8, 5zk3, 5zkb, 5zk8
GPCR-HGmod model	P08172
3D structure model	This structure is from PDB ID 5zkc.
BioLiP	BL0433341, BL0433216, BL0263147, BL0263146, BL0263145, BL0433339, BL0433340, BL0433338
Therapeutic Target Database	T46185
ChEMBL	CHEMBL211
IUPHAR	14
DrugBank	BE0000560

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
Activity	98.0 %	PMID8496700	ChEMBL
IC50	29.0 nM	PMID18588282	ChEMBL
IC50	34.0 nM	PMID20875743	ChEMBL
Ki	0.6 nM	PMID8496700	ChEMBL
pKb	7.92 -	PMID15588084	ChEMBL

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