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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	CHEMBL94247
Molecular formula	C29H38N2O5S3
IUPAC name	ethyl 4-[4-[2-[4-(4-methoxyphenyl)sulfonylphenyl]-1,3-dithiolan-2-yl]piperidin-1-yl]piperidine-1-carboxylate
Molecular weight	590.812
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	5.1
Synonyms	4-[4-[2-[4-(4-Methoxyphenylsulfonyl)phenyl]-1,3-dithiolane-2-yl]piperidino]-1-piperidinecarboxylic acid ethyl ester BDBM50095106 4-{2-[4-(4-Methoxy-benzenesulfonyl)-phenyl]-[1,3]dithiolan-2-yl}-[1,4'']bipiperidinyl-1''-carboxylic acid ethyl ester
Inchi Key	AVQPCIQXTRILEZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H38N2O5S3/c1-3-36-28(32)31-18-14-24(15-19-31)30-16-12-23(13-17-30)29(37-20-21-38-29)22-4-8-26(9-5-22)39(33,34)27-10-6-25(35-2)7-11-27/h4-11,23-24H,3,12-21H2,1-2H3
PubChem CID	15453419
ChEMBL	CHEMBL94247
IUPHAR	N/A
BindingDB	50095106
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
15553	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466

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