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GLASS

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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	3-Quinuclidinyl benzilate
Molecular formula	C21H23NO3
IUPAC name	1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate
Molecular weight	337.419
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.3
Synonyms	Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester BZ [anticholinergic] EA-2277 L001186 NSC168347 Ro 2-3308 ( inverted exclamation markA)-Quinuclidinyl \|A-hydroxydiphenylacetate 1-Azabicyclo(2.2.2)octan-3-ol, benzilate 3-Quinuclidinol benzilate 3-quinuclidinyl-benzilate AC1L2LKL benzilic acid 3-quinuclidinylester CS 4030 HGMITUYOCPPQLE-UHFFFAOYSA-N MFCD00055094 QNB [3H]QNB (+/-)-Quinuclidinyl benzilate 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,2-diphenylacetate AKOS027321160 Buzz D0N3BT Hydroxy-diphenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester(R)-(-)-(QNB) NSC-168347 R-(-)-3-Quinuclidinyl benzilate (-)-Benzilic acid 3-quinuclidinyl ester 3-Chinuclidylbenzilate 581Q062 Benzeneacetic acid, 1-azabicyclo[2.2.2]oct-3-yl ester GTPL318 LS-32529 NSC170423 SCHEMBL59698 (+/-)-QNB 1-Azabicyclo[2.2.2]oct-3-yl hydroxy(diphenyl)acetate # 3-Quinuclidinol, benzilate (ester) 3-quinuclidinylbenzilate AC1Q622B Benzilic acid, 3-quinuclidinyl ester CTK1D7037 Hydroxy-diphenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester NCGC00485298-01 quinuclidin-3-yl 2-hydroxy-2,2-diphenyl-acetate [3H]quinuclidinylbenzilate (+/-)-Quinuclidinyl benzilate, powder 1-AZABICYCLO[2.2.2]OCTAN-8-YL 2-HYDROXY-2,2-DI(PHENYL)ACETATE 4478-53-9 BDBM50010096 BZ EA 2277 KB-185192 NSC-173698 R-QUINUCLIDINYL BENZILATE ( inverted exclamation markA)-QNB .beta.-Quinuclidinyl benzilate 3-Oxyquinuclidine benzilate 6581-06-2 Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester CHEMBL12980 GTPL3260 LS-32530 NSC173698 Substance 78 (+/-)-Quinuclidinyl alpha-hydroxydiphenylacetate 1-azabicyclo[2.2.2]oct-8-yl 2-hydroxy-2,2-diphenyl-acetate 3-Quinuclidyl benzilate Agent BZ Benzilic acid, 3-quinuclidinyl ester, (+-)- D02VGM Hydroxy-diphenyl-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester(QNB) NSC 173698 R,S-(+/-)-QUINUCLIDINYL BENZILATE (+/-)-Quinuclidinyl-(RS)-alpha-hydroxydiphenylacetate 3-(2,2-Diphenyl-2-hydroxyethanoyloxy)-quinuclidine [ Show all ]
Inchi Key	HGMITUYOCPPQLE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
PubChem CID	23056
ChEMBL	CHEMBL12980
IUPHAR	318
BindingDB	50010096
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	0.0251 - 0.0794 nM	PMID3443095	IUPHAR
Ki	0.045 nM	PMID7853341	BindingDB,ChEMBL

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