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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	N-Allyl Brucine Iodide
Molecular formula	C26H31N2O4+
IUPAC name	(4aR,5aS,8aS,13aS,15aS,15bR)-10,11-dimethoxy-6-prop-2-enyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
Molecular weight	435.544
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	1.6
Synonyms	CHEMBL140076 19-Allyl-2,3-dimethoxy-10-oxostrychnidine-19-ium
Inchi Key	AONOIOROLLXNKA-NZKWEKDOSA-N
Inchi ID	InChI=1S/C26H31N2O4/c1-4-7-28-8-6-26-17-11-19(30-2)20(31-3)12-18(17)27-23(29)13-21-24(25(26)27)16(10-22(26)28)15(14-28)5-9-32-21/h4-5,11-12,16,21-22,24-25H,1,6-10,13-14H2,2-3H3/q+1/t16-,21-,22-,24-,25-,26+,28?/m0/s1
PubChem CID	10793015
ChEMBL	CHEMBL140076
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
Affinity	4.5 -	PMID9986715	ChEMBL
Affinity	4.7 -	PMID9986715	ChEMBL
Cooperativity	0.8 -	PMID9986715	ChEMBL
Cooperativity	2.0 -	PMID9986715	ChEMBL

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