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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	aceclidine
Molecular formula	C9H15NO2
IUPAC name	1-azabicyclo[2.2.2]octan-3-yl acetate
Molecular weight	169.224
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.7
Synonyms	ACN-052914 BRD-A32673558-003-02-1 CS-B0278 EINECS 212-574-1 IDI1_000180 KBioSS_001818 1-Azabicyclo[2.2.2]oct-3-yl acetate NCGC00024733-04 3-Quinuclidinol acetate (ester) NSC758239 AB00053601_03 Spectrum5_001301 aceclidine,R(-) Aceclidinum [INN-Latin] AL 304 CAS-827-61-2 DS-5025 Glaucadrine KBio2_001818 (RS) 3-acetoxy quinuclidine LS-143215 1-Azabicyclo[2.2.2]octan-3-ol, acetate (ester) NINDS_000180 SCHEMBL121393 Aceclidina Tox21_110921 acetic acid 1-azabicyclo[2.2.2]octan-3-yl ester BDBM50034625 DSSTox_RID_81035 HMS3264B20 KBio3_002411 1-Azabicyclo(2.2.2)octan-3-ol, acetate NCGC00024733-02 3-Acetoxyquinuclidine NSC-758239 827A612 Spectrum3_001446 Aceclidine (USAN/INN) aceclidine,S(+) AK111028 BRD-A80567352-003-01-6 D02750 FCH835516 KB-80304 KS-00000M46 1-Azabicyclo[2.2.2]oct-3-yl acetate # NCI60_020173 3-Quinuclidinol, acetate Pharmakon1600-01501124 AC1L1CNK Spectrum_001338 Acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester AN-25626 CCG-212926 DSSTox_CID_25658 Glaucostat KBio2_004386 (RS)-3-acetoxyquinuclidine MCULE-4689367855 1-azabicyclo[2.2.2]octan-3-yl acetate NSC 657843 72353-53-8 SPBio_001110 Aceclidina [INN-Spanish] WRJPSSPFHGNBMG-UHFFFAOYSA-N acetic acid quinuclidin-3-yl ester BRD-A32673558-001-01-7 CHEMBL20835 DTXSID2045658 I14-6971 KBioGR_000742 1-Azabicyclo(2.2.2)octan-3-ol, acetate (ester) NCGC00024733-03 3-Quinuclidinol acetate NSC657843 AB00053601_02 Spectrum4_000421 Aceclidine [USAN:INN] Aceclidinum AKOS006281409 BSPBio_002911 DivK1c_000180 FT-0607358 KBio1_000180 (+) 3-acetoxy quinuclidine L023942 1-Azabicyclo[2.2.2]octan-3-ol, acetate NCI60_020184 3-Quinuclidinol, acetate (ester) Quinuclidin-3-yl acetate aceclidin STL430459 Acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester(aceclidine) AX8056501 CHEBI:93847 DSSTox_GSID_45658 Glaucostat (TN) KBio2_006954 MolPort-001-783-614 2787AC NSC-657843 827-61-2 Spectrum2_001235 [ Show all ]
Inchi Key	WRJPSSPFHGNBMG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3
PubChem CID	1979
ChEMBL	CHEMBL20835
IUPHAR	N/A
BindingDB	50034625
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	616.59 nM	PMID8968358	PDSP,BindingDB
Ki	2238.72 nM	PMID8968358	PDSP

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