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GLASS

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GPCR

Name	Muscarinic acetylcholine receptor M3
Species	Rattus norvegicus (Rat)
Gene	Chrm3
Synonym	M3R M3 receptor HM4 Chrm-3 cholinergic receptor, muscarinic 3, cardiac cholinergic receptor, muscarinic 3 cholinergic receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	589
Amino acid sequence	MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVKRSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQKDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
UniProt	P08483
Protein Data Bank	4daj, 4u14, 4u15, 4u16, 5zhp
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4daj.
BioLiP	BL0433837, BL0433838,BL0433839, BL0300355,BL0300356, BL0300353,BL0300354, BL0223908,BL0223909,BL0223910,, BL0300352
Therapeutic Target Database	N/A
ChEMBL	CHEMBL320
IUPHAR	15
DrugBank	N/A

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	(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium 4-[N-(3-chlorophenyl)carbamoyloxy]-2-butynyltrimethylammonium chloride CHEMBL40554 NCGC00015261-01 (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 [ 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	3.98107e+14 nM	PMID9703467	ChEMBL

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