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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	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	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 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 [ 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
IC50	2.2 nM	PMID26988801, PMID27876250	BindingDB
IC50	34.0 nM	PMID20875743	BindingDB
IC50	37.0 nM	PMID23466604	ChEMBL
IC50	51.0 nM	PMID18983139	ChEMBL
Kd	12.02 nM	PMID9784091	ChEMBL
Kd	12.3 nM	PMID9767650	ChEMBL
Kd	15.14 nM	PMID7932564, PMID8246244	BindingDB,ChEMBL
Kd	19.5 nM	PMID2909747	BindingDB,ChEMBL
Ki	0.6 nM	PMID8496700	BindingDB
Ki	2.399 nM	PMID17276075	ChEMBL
Ki	3.6 nM	PMID2704370	PDSP,BindingDB
Ki	3.98108 - 50.1187 nM	PMID8759038, PMID2704370, PMID9454790, PMID16188951, PMID1994002, PMID9113359	IUPHAR
Ki	12.5893 nM	PMID8016895	PDSP
Ki	13.18 nM	PMID1994002	BindingDB
Ki	13.1826 nM	PMID1994002	PDSP
Ki	14.3 nM	PMID11708906	BindingDB,ChEMBL
Ki	14.35 nM	PMID7805774	PDSP,BindingDB
Ki	26.0 nM	PMID23466604	ChEMBL
Ki	27.0 nM	PMID24805037	BindingDB,ChEMBL
Ki	36.0 nM	PMID18983139	ChEMBL
Ki	42.0 nM	PMID9454790	PDSP,BindingDB
Ki	77.62 nM	PMID13679167	BindingDB
Ki	77.6247 nM	PMID13679167	PDSP
pKb	7.82 -	PMID17276075	ChEMBL
pKB	7.91 -	PMID12109912, PMID11960498	ChEMBL
pKb	7.92 -	PMID12620072	ChEMBL