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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	142744-14-7
Molecular formula	C16H19FN4O5S
IUPAC name	N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-5-fluoro-2,4-dinitroaniline
Molecular weight	398.409
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.3
Synonyms	BDBM50004657 N-(2-(((5-((Dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-2,4-dinitro-5-fluoroaniline 2-Furanmethanamine, N,N-dimethyl-5-(((2-((5-fluoro-2,4-ditrophenyl)amino)ethyl)thio)methyl)- CHEMBL104681 [2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-(5-fluoro-2,4-dinitro-phenyl)-amine AC1MILIO LS-70238 BRN 5836041 N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-5-fluoro-2,4-dinitroaniline 2-Furanmethanamine,5-[[[2-[(5-fluoro-2,4-dinitrophenyl)amino]ethyl]thio]methyl]-N,N-dimethyl- CTK4C3270 ACMC-20n1qc N,N-Dimethyl-5-(((2-((5-fluoro-2,4-ditrophenyl)amino)ethyl)thio)methyl)-2-furanmethanamine N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-5-fluoroaniline DTXSID20162154 [ Show all ]
Inchi Key	LAFTTYMJFZRMQP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H19FN4O5S/c1-19(2)9-11-3-4-12(26-11)10-27-6-5-18-14-7-13(17)15(20(22)23)8-16(14)21(24)25/h3-4,7-8,18H,5-6,9-10H2,1-2H3
PubChem CID	3072502
ChEMBL	CHEMBL104681
IUPHAR	N/A
BindingDB	50004657
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	7000.0 nM	PMID1507203	BindingDB,ChEMBL

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