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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Muscarinic acetylcholine receptor M2
Species	Mus musculus (Mouse)
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	MNNSTNSSNNGLAITSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKEKKEPVANQDPVSPSLVQGRIVKPNNNNMPGGDGGLEHNKIQNGKAPRDGGTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDDNSRQTCIKIVTKTQKGDACTPTSTTVELVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
UniProt	Q9ERZ4
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	CHEMBL3197
IUPHAR	14
DrugBank	N/A

Ligand

Name	BRN 5834442
Molecular formula	C16H20N4O5S
IUPAC name	N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-2,4-dinitroaniline
Molecular weight	380.419
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.2
Synonyms	BDBM50004661 N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2,4-dinitroaniline 2-Furanmethanamine, N,N-dimethyl-5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)- CHEMBL316973 AC1MILIM LS-70237 142744-13-6 N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitroaniline 2-Furanmethanamine,5-[[[2-[(2,4-dinitrophenyl)amino]ethyl]thio]methyl]-N,N-dimethyl- CTK4C3269 ACMC-20n1qb N,N-Dimethyl-5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)-2-furanmethanamine [2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-(2,4-dinitro-phenyl)-amine 2-Furanmethanamine, 5-(((2-((2,4-dinitrophenyl)amino)ethyl)thio)methyl)-N,N-dimethyl- DTXSID60162153 [ Show all ]
Inchi Key	GWLYGKHENDIOMW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H20N4O5S/c1-18(2)10-13-4-5-14(25-13)11-26-8-7-17-15-6-3-12(19(21)22)9-16(15)20(23)24/h3-6,9,17H,7-8,10-11H2,1-2H3
PubChem CID	3072501
ChEMBL	CHEMBL316973
IUPHAR	N/A
BindingDB	50004661
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	870.0 nM	PMID1507203	BindingDB,ChEMBL
Ki	12000.0 nM	PMID1507203	BindingDB,ChEMBL
Ratio	14.0 -	PMID1507203	ChEMBL

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