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GLASS

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GPCR

Name	Muscarinic acetylcholine receptor M5
Species	Homo sapiens (Human)
Gene	CHRM5
Synonym	M5R M5 receptor cholinergic receptor cholinergic receptor, muscarinic 5
Disease	Urinary incontinence Colitis Dysmenorrhea Irritable bowel syndrome Myasthenia gravis Neurological disease Schizophrenia Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Allergic rhinitis Central and peripheral nervous diseases Brain diseases Amnesia [ Show all ]
Length	532
Amino acid sequence	MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVTKAEKRKPAHRALFRSCLRCPRPTLAQRERNQASWSSSRRSTSTTGKPSQATGPSANWAKAEQLTTCSSYPSSEDEDKPATDPVLQVVYKSQGKESPGEEFSAEETEETFVKAETEKSDYDTPNYLLSPAAAHRPKSQKCVAYKFRLVVKADGNQETNNGCHKVKIMPCPFPVAKEPSTKGLNPNPSHQMTKRKRVVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTVNPICYALCNRTFRKTFKMLLLCRWKKKKVEEKLYWQGNSKLP
UniProt	P08912
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T79961
ChEMBL	CHEMBL2035
IUPHAR	17
DrugBank	BE0000247, BE0004890

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	CTK5B1121 Ipravent 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 GTPL325 Kendral-Ipratropium NCGC00018212-04 Rhinovent STL483422 AC1L1GMB Atrovent (TN) BRD-A05352148-004-02-0 CHEMBL1237108 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 D0S0AS 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 CAS_22254-24-6 HMS3259E14 L000784 NCGC00022819-02 Rinatec Vagos AC1Q6241 Atrovent Aerosol CHEMBL1615433 Ipratropium bromide monohydrate 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 Disne-Asmol 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 CHEBI:91495 Ipatropium Bromide LS-187321 NCGC00163226-01 Rinoberen X8M Aerodose Atrovent Hfa [ 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	82372, 50355610, 50378083
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	1.04 nM	PMID21870878	BindingDB
Ki	1.58489 nM	PMID11303071	IUPHAR
Ki	1.7 nM	PMID11303071	PDSP,BindingDB

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