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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	Solifenacin
Molecular formula	C23H26N2O2
IUPAC name	[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
Molecular weight	362.473
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.0
Synonyms	AKOS015896445 D08522 HY-A0034 YM 905 242478-37-1 CHEBI:135530 NCGC00168778-01 Soliten YM-905 (+)-Solifenacin AC1L4BM3 CHEMBL1734 FBOUYBDGKBSUES-VXKWHMMOSA-N SCHEMBL188493 Vesicare (TN) [(8R)-1-azabicyclo[2.2.2]octan-8-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate 1-azabicyclo[2.2.2]oct-8-yl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate BDBM50344284 D0L4YD I06-1893 Solifenacin (INN) YM-53705 ((8r)-1-azabicyclo(2.2.2)octan-8-yl) (1s)-1-phenyl-3,4-dihydro-1h-isoQUINOLINE-2-carboxylate A8910SQJ1U CHEMBL1200803 DB01591 Quinuclidin-3'-yl-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylatemonosuccinate UNII-A8910SQJ1U ZINC3936683 (1S)-(3R)-1-azabicyclo[2.2.2]oct-3-yl-3,4-dihydro-1-phenyl-2(1H)-isoquinolinecarboxylate AJ-47452 CS-8096 GTPL7483 SCHEMBL9971260 Vesikur 2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-1-phenyl-,1-azabicyclo(2.2.2)oct-3-yl ester, (R-(R,S))- BDBM50370682 DB-001095 KS-00000ZV0 Solifenacin [INN:BAN] YM-67905 ((8R)-1-azabicyclo(2.2.2)octan-8-yl)(1S)-1-phenyl-3,4-dihydro-1h-isoquinoline-2-carboxylate AB01565949_02 DTXSID3048289 SB17427 Vesicare [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate (3R)-1-azabicyclo[2.2.2]octan-3-yl (1S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate [ Show all ]
Inchi Key	FBOUYBDGKBSUES-VXKWHMMOSA-N
Inchi ID	InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
PubChem CID	154059
ChEMBL	CHEMBL1734
IUPHAR	7483
BindingDB	50344284, 50370682
DrugBank	DB01591
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	573.0 nM	PMID21524581	IUPHAR
IC50	573.7 nM	PMID21524581	BindingDB
Ki	79.4328 - 125.893 nM	PMID12122494, PMID20590605	IUPHAR

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