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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	scopolamine
Molecular formula	C17H21NO4
IUPAC name	(9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) 3-hydroxy-2-phenylpropanoate
Molecular weight	303.358
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	0.9
Synonyms	Tropic acid, 9-methyl-3-oxa-9-azatricyclo(3.3.1.O(2,4))non-7-yl ester (-)-Scopolamine 6-.beta.,7-.beta.-Epoxy-3-.alpha.-tropanyl S-(-)-tropate AC1L1JSC BDBM50015720 CHEMBL13030 Hysco MLS006012038 Scopoderm-TTS Skopolamin 9-Methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]nonan-7-ol (-)-tropate AKOS016038549 Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl ester, [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]- Hydroscine hydrobromide l-Hyoscine hydrobromide NCGC00162334-01 Scopolamine Hyoscine STL377948 Transderm-V (+)-Hyoscine 9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate Atroscine Hydrobromide C3427 Hyoscyine hydrobromide LS-144660 SCHEMBL16227 Scopolammonium bromide Tropic acid, ester with scopine (hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9-aza-tricyclo[3.3.1.02,4]non-7-yl ester 6.beta.,7.beta.-Epoxy-1.alpha.H,5.alpha.H-tropan-3.alpha.-ol (-)-tropate (ester) AC1Q60XM Beldavrin ChEMBL_11434 Isoscopil MolPort-002-052-054 SMR001307730 1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 6.beta.,7.beta.-epoxy-, (-)-tropate (ester) 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 3-hydroxy-2-phenylpropanoate AN-13005 Benzotropine3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9-aza-tricyclo[3.3.1.02,4]non-7-yl ester Hyocine F hydrobromide l-Scopolamine NSC61806 Scopolaminhydrobromid Tranaxine Triptone (+)-Scopolamine 51-34-3 AB00826823-11 BBL033894 CHEBI:91541 Hyosol MCULE-1606329466 Scopamin SEE (S)-(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate 81D34684-E0B2-4B3A-A36C-FB916BBC90F7 AKOS001581155 Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, (.alpha.S)- Euscopol Kwells NCGC00015932-03 SCOPOLAMINE BROMIDE STECJAGHUSJQJN-UHFFFAOYSA-N Transcop 3-Oxa-9-azatricyclo(3.3.1.O(2,4))nonan-7-ol, 9-methyl-, tropate 9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl 3-hydroxy-2-phenylpropanoate Atroscin BRD-A14566392-004-03-5 Hyoscine bromide L001096 Oscine Scopolaminium bromide [ Show all ]
Inchi Key	STECJAGHUSJQJN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3
PubChem CID	5184
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50015720
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	2.07 nM	PMID1346637	PDSP,BindingDB

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