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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Muscarinic acetylcholine receptor M2
Species	Rattus norvegicus (Rat)
Gene	Chrm2
Synonym	cholinergic receptor cholinergic receptor, muscarinic 2 AChR M2 Chrm-2 M2 muscarinic acetylcholine receptor M2 receptor cholinergic receptor, muscarinic 2, cardiac [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MNNSTNSSNNGLAITSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKEKKEPVANQDPVSPSLVQGRIVKPNNNNMPGGDGGLEHNKIQNGKAPRDGVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSRDDNSKQTCIKIVTKAQKGDVCTPTSTTVELVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProt	P10980
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL309
IUPHAR	14
DrugBank	N/A

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	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 9-Methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]nonan-7-ol (-)-tropate Atroscine Hydrobromide C3427 Hyoscyine hydrobromide LS-144660 SCHEMBL16227 Scopolammonium bromide Transderm-V (+)-Hyoscine 9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate AC1Q60XM Beldavrin ChEMBL_11434 Isoscopil MolPort-002-052-054 SMR001307730 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) 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 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 AB00826823-11 BBL033894 CHEBI:91541 Hyosol MCULE-1606329466 Scopamin SEE Triptone (+)-Scopolamine 51-34-3 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 (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 Atroscin BRD-A14566392-004-03-5 Hyoscine bromide L001096 Oscine Scopolaminium bromide 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 AC1L1JSC BDBM50015720 CHEMBL13030 Hysco MLS006012038 Scopoderm-TTS Skopolamin 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 [ 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	0.8 nM	PMID4151898	BindingDB
Ki	1.41 nM	PMID2250662	BindingDB
Ki	7.0 nM	PMID6310078	BindingDB

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