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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	L-Hyoscyamine
Molecular formula	C17H23NO3
IUPAC name	(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate
Molecular weight	289.375
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.8
Synonyms	Prestwick2_000565 Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [3(S)-endo]- SDCCGMLS-0066623.P001 CHEBI:104243 Spectrum_001159 EU-0100567 TR-031981 I06-0059 KBioSS_001639 (.+/-.)-Hyoscyamine Lopac0_000567 .alpha.-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo- NCGC00015026-06 51-55-8 NCGC00015026-14 AC1L1GFK NCGC00161600-02 Atropisol (Salt/Mix) Benzeneacetic acid, .alpha.-(hydroxymethyl)- (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester RKUNBYITZUJHSG-UHFFFAOYSA-N BRD-A93739713-065-03-5 SPBio_002569 CHEMBL9751 SR-01000075162-12 HMS3372F19 UPCMLD-DP018 KBio2_001639 L-Hyoscyamine, >=98% (TLC), powder (8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 3-hydroxy-2-phenyl-propanoate MFCD00022622 1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol (.+/-.)-tropate NCGC00015026-09 NCGC00093951-03 alpha-[hydroxymethyl]benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester NINDS_000558 Prestwick0_000565 Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (.alpha.S)- SC-22805 CAS_51-55-8 Spectrum4_001813 DivK1c_000558 STL374102 hyoscyamine KBio3_001374 L988 (S)-alpha-(Hydroxymethyl)benzeneacetic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester NCGC00015026-04 2-Phenylhydracrylic acid 3-.alpha.-tropanyl ester NCGC00015026-12 AB00514677_07 NCGC00094699-02 Atropine sulfate monohydrate Prestwick3_000565 Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [3(S)-endo]-, sulfate (2:1) (salt) SMP1_000031 CHEMBL195 SR-01000075162 H 9002 Tropic acid, 3-.alpha.-tropanyl ester IDI1_000558 (.+/-.)-Tropyl tropate LP00567 .beta.-Phenyl-.gamma.-oxypropionsaeure-tropyl-ester NCGC00015026-07 5908-99-6 NCGC00093951-01 AC1Q3ZKH NCGC00161600-03 BBL033747 Benzeneacetic acid, .alpha.-(hydroxymethyl)- (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester SBI-0050031.P005 BSPBio_000350 Spectrum2_000094 CTK4J4465 SR-01000075162-13 HMS3373B22 UPCMLD-DP018:001 KBio2_004207 L-Hyoscyamine, analytical standard (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate MolPort-001-779-638 1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol (.+/-.)-tropate (ester) NCGC00015026-10 A0754 NCGC00093951-04 AN-41608 NSC_3661 Prestwick1_000565 Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (.alpha.S)-, sulfate (2:1) SCHEMBL2813 CCG-204138 Spectrum5_000545 DL -Hyoscyamine Tox21_500567 HYOSCYAMINE HCl KBioGR_002450 (.+/-.)-Atropine Lopac0_000042 NCGC00015026-05 2-Phenylhydracrylic Acid 3-A-Tropanyl Ester NCGC00015026-13 AC-15995 NCGC00161600-01 Atropine,(-) BDBM86231 Q-200659 BPBio1_000386 SPBio_000048 SR-01000075162-1 HMS3261B16 Tropine DL-tropate KBio1_000558 L-Hyoscyamine hydrobromide (8-methyl-8-azabicy-clo[3.2.1]oct-3-yl) 3-hydroxy-2-phenylpropanoate MCULE-9094179165 1-.alpha.-H,5-.alpha.-H-Tropan-3-.alpha.-ol (.+/-.)-tropate NCGC00015026-08 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl tropate # NCGC00093951-02 AKOS009031432 NCGC00261252-01 Benzeneacetic acid, .alpha.-(hydroxymethyl)- 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester endo-(.+/-.)- SC-19273 BSPBio_001874 Spectrum3_000307 Daturine SR-01000075162-2 HMS3652A17 KBio2_006775 L001264 (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate NCGC00015026-03 2-Phenyl-3-hydroxypropionic acid tropane-3-yl ester NCGC00015026-11 AB00514677 NCGC00094699-01 Atropine sulfate Oprea1_442738 [ Show all ]
Inchi Key	RKUNBYITZUJHSG-UHFFFAOYSA-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
PubChem CID	3661
ChEMBL	CHEMBL9751
IUPHAR	N/A
BindingDB	86231
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	0.21 nM	PMID2704370	PDSP,BindingDB
Ki	0.4 nM	PMID10227113, PMID14642972	PDSP,BindingDB
Ki	0.5 nM	PMID10708730, PMID14642972	PDSP,BindingDB
Ki	0.54 nM	PMID11303071	PDSP,BindingDB
Ki	0.6 nM	PMID14642972	PDSP,BindingDB
Ki	1.7 nM	PMID1346637	PDSP,BindingDB

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