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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	CHEMBL164039
Molecular formula	C24H29NO4S2
IUPAC name	ethyl 6-(2-acetylsulfanylethyl)-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate
Molecular weight	459.619
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.6
Synonyms	6-(2-Acetylsulfanyl-ethyl)-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-nicotinic acid ethyl ester BDBM50074232
Inchi Key	AGVUBFBBRYYSDN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29NO4S2/c1-5-11-18-20(24(28)30-7-3)19(14-15-31-16(4)26)25-22(17-12-9-8-10-13-17)21(18)23(27)29-6-2/h8-10,12-13H,5-7,11,14-15H2,1-4H3
PubChem CID	9804259
ChEMBL	CHEMBL164039
IUPHAR	N/A
BindingDB	50074232
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
5266	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
5267	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
5268	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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