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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 5841153
Molecular formula	C22H26N6O5S
IUPAC name	1-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine
Molecular weight	486.547
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	4.2
Synonyms	1-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitro-3-N-(pyridin-3-ylmethyl)benzene-1,3-diamine DTXSID20162159 AC1MILJ2 N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N'-(3-pyridinylmethyl)benzene-1,5-diamine 142744-23-8 LS-29601 BDBM50004660 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(3-pyridinylmethyl)- CHEMBL107673 N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-N''-pyridin-3-ylmethyl-benzene-1,3-diamine [ Show all ]
Inchi Key	NMIVJPRSJCLQCG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26N6O5S/c1-26(2)14-17-5-6-18(33-17)15-34-9-8-24-19-10-20(25-13-16-4-3-7-23-12-16)22(28(31)32)11-21(19)27(29)30/h3-7,10-12,24-25H,8-9,13-15H2,1-2H3
PubChem CID	3072509
ChEMBL	CHEMBL107673
IUPHAR	N/A
BindingDB	50004660
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
226939	Muscarinic acetylcholine receptor M1	P12657	Chrm1	Mus musculus (Mouse)	460
226938	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466

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