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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	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	BRN 5829247
Molecular formula	C16H20FN3O3S
IUPAC name	N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-fluoro-2-nitroaniline
Molecular weight	353.412
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.5
Synonyms	DTXSID80162155 BDBM50004673 N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4-fluoro-2-nitroaniline CHEMBL104355 2-Furanmethanamine,5-[[[2-[(4-fluoro-2-nitrophenyl)amino]ethyl]thio]methyl]-N,N-dimethyl- LS-70239 AC1MILIQ [2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-(4-fluoro-2-nitro-phenyl)-amine 142744-16-9 CTK4C3271 2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]-N-(2-nitro-4-fluorophenyl)ethanamine N,N-Dimethyl-5-(((2-((4-fluoro-2-nitrophenyl)amino)ethyl)thio)methyl)-2-furanmethanamine ACMC-20n1qd 2-Furanmethanamine, N,N-dimethyl-5-(((2-((4-fluoro-2-nitrophenyl)amino)ethyl)thio)methyl)- [ Show all ]
Inchi Key	NEZXWTGSAGKVIL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H20FN3O3S/c1-19(2)10-13-4-5-14(23-13)11-24-8-7-18-15-6-3-12(17)9-16(15)20(21)22/h3-6,9,18H,7-8,10-11H2,1-2H3
PubChem CID	3072503
ChEMBL	CHEMBL104355
IUPHAR	N/A
BindingDB	50004673
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2400.0 nM	PMID1507203	BindingDB,ChEMBL

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