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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 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	L-Hyoscyamine
Molecular formula	C17H23NO3
IUPAC name	[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Molecular weight	289.375
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.8
Synonyms	CCG-220233 D0NZ3Q HMS2231N11 Hyoscyamine [USP:BAN] l-Hyopscyamine (-)-Atropine MLS001304011 (leo)-atropine Prestwick_273 1891070-00-0 SR-01000799139-2 5934-50-9 Tropine, (-)-tropate (ester) Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (.alpha.S)- [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenyl-propanoate [3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester CHEMBL1234973 DB00424 Hyocyamine Hyospaz L-Tropine tropate (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate MolPort-002-526-676 (S)-(leo)-hyoscyamine SCHEMBL1649244 28905-40-0 Symax SL AC1L4C8O UNII-PX44XO846X BPBio1_000337 CHEMBL2449003 ENDO-ATROPINE Hyoscyamine (L) J-000364 Levsinex SR (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate OIN 1-Hyoscyamine SMR000718747 47170-56-9 Tropic acid, (-)-, ester with tropine AKOS015896332 ZINC56 BSPBio_000305 CHEBI:17486 Daturin HMS3712P07 Hyoscyamine, l- L-Hyoscamine (-)-Hyoscyamine MLS002154242 (leo)-hyoscyamine PX44XO846X 1892-81-5 ST24034062 6835-16-1 Tropine-L-tropate Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)- [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate CHEMBL1331216 Duboisine Hyoscyamin Hyosyne Levbid (2S)-(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate MolPort-035-675-645 (S)-Atropine SCHEMBL249586 2arm Symax SR Actoferrin ZINC100009280 BRD-K40530731-001-02-5 C02046 D00147 HMS2095P07 Hyoscyamine (USP) l-Atropine MCULE-1764209130 (8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)(2R)-3-hydroxy-2-phenylpropanoate Prestwick3_000233 101-31-5 SR-01000799139 5908-99-6 Tropine, (-)-tropate Anaspaz, Levbid, Levsin [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate CHEBI:92712 Daturine HSDB 3552 Hyoscyaminum (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE MLS002222193 (S)-(-)-Hyoscyamine RKUNBYITZUJHSG-FXUDXRNXSA-N 1alphaH,5alphaH-Tropan-3alpha-ol (-)-tropate (ester) Symax Duotab 8000-07-5 UNII-7C0697DR9I component RKUNBYITZUJHSG-FXUDXRNXSA-N Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(S)-endo)- [3(S)-endo]-a-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester EINECS 202-933-0 hyoscyamine I06-2035 Levsin SL (2S)-2-Phenyl-3-hydroxypropionic acid (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3beta-yl ester NCGC00179608-01 (S)atropine SCHEMBL41316 38411-64-2 tropan-3alpha-yl (2S)-3-hydroxy-2-phenylpropanoate AJ-07844 ZINC100068360 BRD-K40530731-001-11-6 [ Show all ]
Inchi Key	RKUNBYITZUJHSG-VFSICIBPSA-N
Inchi ID	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1
PubChem CID	154417
ChEMBL	CHEMBL2449003
IUPHAR	N/A
BindingDB	N/A
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	0.14 nM	PMID23707254	ChEMBL
Ki	0.3388 nM	PMID24365159	ChEMBL
Ki	0.34 nM	PMID24365159	ChEMBL
Ki	3.02 nM	PMID25051097	ChEMBL

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