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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	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	CHEMBL366819
Molecular formula	C22H37NO2
IUPAC name	(3S,3aR,4R,4aS,8aR,9aS)-3-methyl-4-[3-(2-methylpiperidin-1-yl)propyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight	347.543
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.4
Synonyms	(3S)-3beta-Methyl-4alpha-[3-(2-methylpiperidino)propyl]-1,3,3abeta,4,4aalpha,5,6,7,8,8abeta,9,9abeta-dodecahydronaphtho[2,3-c]furan-1-one BDBM50076075 (3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[3-(2-methyl-piperidin-1-yl)-propyl]-decahydro-naphtho[2,3-c]furan-1-one
Inchi Key	ADHSKYZRIOAFEG-SPHRIPSTSA-N
Inchi ID	InChI=1S/C22H37NO2/c1-15-8-5-6-12-23(15)13-7-11-19-18-10-4-3-9-17(18)14-20-21(19)16(2)25-22(20)24/h15-21H,3-14H2,1-2H3/t15?,16-,17+,18-,19+,20-,21+/m0/s1
PubChem CID	44384258
ChEMBL	CHEMBL366819
IUPHAR	N/A
BindingDB	50076075
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	275.0 nM	PMID10206558	BindingDB,ChEMBL

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