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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 5836042
Molecular formula	C16H21N5O5S
IUPAC name	3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine
Molecular weight	395.434
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.1
Synonyms	3-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-4,6-dinitrobenzene-1,3-diamine LS-29607 BDBM50004664 1,3-Benzenediamine, 4,6-dinitro-N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)- CHEMBL107892 N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-benzene-1,3-diamine 142744-17-0 DTXSID40162156 AC1MILIS N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2,4-dinitrobenzene-1,5-diamine [ Show all ]
Inchi Key	HAFSYIUXFNUVMN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H21N5O5S/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,5-6,9-10,17H2,1-2H3
PubChem CID	3072504
ChEMBL	CHEMBL107892
IUPHAR	N/A
BindingDB	50004664
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
109795	Muscarinic acetylcholine receptor M1	P12657	Chrm1	Mus musculus (Mouse)	460
109796	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
109797	Muscarinic acetylcholine receptor M2	Q9ERZ4	Chrm2	Mus musculus (Mouse)	466

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