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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	ipratropium
Molecular formula	C20H30NO3+
IUPAC name	(8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate
Molecular weight	332.464
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.6
Synonyms	Ipraxa Narilet Prestwick2_000575 SCHEMBL3124 [(5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate AB01274716-01 Apovent (TN) BDBM82372 D0S0AS L000784 NCGC00022819-02 Rinatec Vagos AC1Q6241 Atrovent Aerosol CAS_22254-24-6 HMS3259E14 MRF-0000591 Prestwick0_000575 SCHEMBL12055829 [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate (3-endo,8-syn)-3-(3-Hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-8-azoniabicyclo(3.2.1)octane 8-Azoniabicyclo[3.2.1]octane,3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1-methylethyl)-,(3-endo,8-syn)- Apo-Ipravent BDBM50355610 CHEMBL1615433 Ipratropium bromide monohydrate Ipvent NC00569 Rhinotrop SPBio_002609 3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-(propan-2-yl)-8-azoniabicyclo[3.2.1]octane AB01274716_02 Atronase Bitrop Disne-Asmol LS-187321 NCGC00163226-01 Rinoberen X8M Aerodose Atrovent Hfa CHEBI:91495 Ipatropium Bromide N-Isopropylatropine Prestwick1_000575 SCHEMBL14311544 [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate (8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate Apovent BDBM50378083 CTK5B1121 Ipravent Kendral-Ipratropium NCGC00018212-04 Rhinovent STL483422 AC1L1GMB Atrovent (TN) BRD-A05352148-004-02-0 GTPL325 MCULE-9149653773 NSC_3746 Rinovagos [(1R,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate (+-)-Ipratropine 60205-81-4 Aerovent Atrovent Nasal CHEMBL1237108 [ Show all ]
Inchi Key	OEXHQOGQTVQTAT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1
PubChem CID	3746
ChEMBL	N/A
IUPHAR	325
BindingDB	50355610, 50378083, 82372
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2.24 nM	PMID19653626	BindingDB
Ki	0.413 nM	PMID21870878	BindingDB
Ki	0.48 nM	PMID21870878	BindingDB
Ki	1.02 nM	PMID19653626	BindingDB
Ki	1.5 nM	PMID11303071	PDSP,BindingDB
Ki	1.58489 nM	PMID11303071	IUPHAR

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