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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.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Muscarinic acetylcholine receptor M2
Species	Rattus norvegicus (Rat)
Gene	Chrm2
Synonym	cholinergic receptor cholinergic receptor, muscarinic 2 AChR M2 Chrm-2 M2 muscarinic acetylcholine receptor M2 receptor cholinergic receptor, muscarinic 2, cardiac [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MNNSTNSSNNGLAITSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKEKKEPVANQDPVSPSLVQGRIVKPNNNNMPGGDGGLEHNKIQNGKAPRDGVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSRDDNSKQTCIKIVTKAQKGDVCTPTSTTVELVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProt	P10980
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL309
IUPHAR	14
DrugBank	N/A

Ligand

Name	Methoctramine
Molecular formula	C36H62N4O2
IUPAC name	N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine
Molecular weight	582.918
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	6.8
Synonyms	BDBM50064176 L000857 N,N'-Bis(6-((2-methoxyphenyl)methylamino)hexyl)octane-1,8-diamine NCGC00015626-04 LS-187525 n,n'-bis{6-[(2-methoxybenzyl)amino]hexyl}octane-1,8-diamine NVJ76B897D AC1L1HFG GTPL327 N,N''''-Bis-[6-(2-methoxy-benzylamino)-hexyl]-octane-1,8-diamine NCGC00015626-02 ZINC3921860 CCG-204944 Lopac-M-105 N,N'-bis[6-[(2-Methoxyphenyl)methylamino]hexyl]octane-1,8-diamine NCGC00162283-01 CHEMBL27673 N1,N8-bis(6-(2-methoxybenzylamino)hexyl)octane-1,8-diamine SCHEMBL11982296 3967-44-0 AC1Q57PA J257.584A N,N'-Bis(6-(((2-methoxyphenyl)methyl)amino)hexyl)-1,8-octanediamine NCGC00015626-03 CHEBI:73339 Lopac0_000862 N,N'-Bis[6-[[(2-methoxyphenyl)methyl]amino]hexyl]-1,8-octanediamine NCGC00162283-02 1,8-Octanediamine, N1,N8-bis(6-(((2-methoxyphenyl)methyl)amino)hexyl)- D06UXW Methoctramine free base NCGC00015626-01 UNII-NVJ76B897D [ Show all ]
Inchi Key	RPMBYDYUVKEZJA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H62N4O2/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
PubChem CID	4108
ChEMBL	CHEMBL27673
IUPHAR	327
BindingDB	50064176
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	4.57 nM	PMID2250662	BindingDB
Ki	12.59 nM	PMID2188581	BindingDB
Ki	14.0 nM	N/A	BindingDB
Ki	14.45 nM	PMID7932564, PMID8246244, Bioorg. Med. Chem. Lett., (1995) 5:8:785	BindingDB,ChEMBL
Ki	15.0 nM	PMID9572880	BindingDB,ChEMBL
Ki	16.7 nM	PMID2547939	BindingDB
Ki	19.0 nM	PMID2385234	BindingDB
Ki	19.95 nM	PMID9767650	ChEMBL
Ki	20.0 nM	PMID9767650	BindingDB
Ki	44.0 nM	PMID2172674	BindingDB
Ki	49.0 nM	PMID9454790	BindingDB
Ki	50.1187 nM	PMID9454790	IUPHAR
Ki	88.0 nM	PMID2704370	BindingDB
Ki	424.0 nM	PMID2005579	BindingDB
Ki	638.0 nM	PMID2005579	BindingDB
Ki	653.0 nM	PMID2005579	BindingDB
Ki	833.0 nM	PMID2005579	BindingDB

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