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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	BRN 5836339
Molecular formula	C17H23N5O5S
IUPAC name	3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-4,6-dinitrobenzene-1,3-diamine
Molecular weight	409.461
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.8
Synonyms	N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-N''-methyl-4,6-dinitro-benzene-1,3-diamine 142744-18-1 DTXSID00162157 AC1MILIU N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N'-methylbenzene-1,5-diamine 3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-4,6-dinitrobenzene-1,3-diamine LS-29595 BDBM50004667 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-methyl- CHEMBL320291 [ Show all ]
Inchi Key	GUSIEDDJDIMRDC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H23N5O5S/c1-18-14-8-15(17(22(25)26)9-16(14)21(23)24)19-6-7-28-11-13-5-4-12(27-13)10-20(2)3/h4-5,8-9,18-19H,6-7,10-11H2,1-3H3
PubChem CID	3072505
ChEMBL	CHEMBL320291
IUPHAR	N/A
BindingDB	50004667
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
105891	Muscarinic acetylcholine receptor M1	P12657	Chrm1	Mus musculus (Mouse)	460
105890	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466

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