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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 5840630
Molecular formula	C22H24FN5O5S
IUPAC name	3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-(4-fluorophenyl)-4,6-dinitrobenzene-1,3-diamine
Molecular weight	489.522
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	5.4
Synonyms	N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitro-N'-(4-fluorophenyl)benzene-1,5-diamine AC1MILJA LS-29594 3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-(4-fluorophenyl)-4,6-dinitrobenzene-1,3-diamine BDBM50004663 CHEMBL107254 1,3-Benzenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-4,6-dinitro-N'-(4-fluorophenyl)- N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-N''-(4-fluoro-phenyl)-4,6-dinitro-benzene-1,3-diamine DTXSID90162161 142744-28-3 [ Show all ]
Inchi Key	YXBRWTPSYYDWIO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24FN5O5S/c1-26(2)13-17-7-8-18(33-17)14-34-10-9-24-19-11-20(25-16-5-3-15(23)4-6-16)22(28(31)32)12-21(19)27(29)30/h3-8,11-12,24-25H,9-10,13-14H2,1-2H3
PubChem CID	3072514
ChEMBL	CHEMBL107254
IUPHAR	N/A
BindingDB	50004663
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
421336	Muscarinic acetylcholine receptor M1	P12657	Chrm1	Mus musculus (Mouse)	460
421337	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466

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