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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	UNII-JO67EL43YO
Molecular formula	C14H18ClN2O2+
IUPAC name	4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium
Molecular weight	281.76
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.7
Synonyms	(McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride AC1L1H8K JO67EL43YO NCGC00015261-04 [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride (McN-A-343) 4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium CCG-204372 LS-187102 NCGC00163255-01 (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium cation CHEMBL74300 NCGC00015261-02 ZINC2041362 4-((3-chlorophenyl)carbamoyloxy)-N,N,N-trimethylbut-2-yn-1-aminium chloride Ammonium, (4-hydroxy-2-butynyl)trimethyl-, m-chlorocarbanilate (ester) Lopac-C-7041 NCGC00162115-01 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium N,N,N-Trimethyl-4-[N-(3-chlorophenyl)aminocarbonyloxy]-2-butyn-1-aminium Pyrrolidinium, 1-((3S)-3-cycloh2-butyn-1-aminium, 4-((((3-chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl- (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium ion 7614-29-1 DTXSID70226997 NCGC00015261-03 [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride 4-(3-chlorophenylcarbamoyloxy)-N,N,N-trimethylbut-2-yn-1-aminium BDBM50006584 Lopac0_000277 NCGC00162115-02 (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium 4-[N-(3-chlorophenyl)carbamoyloxy]-2-butynyltrimethylammonium chloride CHEMBL40554 NCGC00015261-01 [ Show all ]
Inchi Key	DDKOMKXCUXCQBS-UHFFFAOYSA-O
Inchi ID	InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
PubChem CID	4022
ChEMBL	CHEMBL40554
IUPHAR	N/A
BindingDB	50006584
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	3801.89 nM	PMID19896386, PMID18543900	BindingDB,ChEMBL
Ki	3802.0 nM	PMID24980056	BindingDB

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