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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	172516-44-8
Molecular formula	C17H24O3S2
IUPAC name	ethyl 3-butan-2-ylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate
Molecular weight	340.496
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.3
Synonyms	FT-0625996 4,5,6,7-Tetrahydro-6,6-dimethyl-3-[(1-methylpropyl)thio]-4-oxobenzo[c]thiophene-1-carboxylic acid ethyl ester CCG-240468 CTK8H2434 MCULE-2559181771 ACM172516448 ethyl 3-butan-2-ylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate ZX-AT025682 Benzo[c]thiophene-1-carboxylicacid,4,5,6,7-tetrahydro-6,6-dimethyl-3-[(1-methylpropyl)thio]-4-oxo-,ethylester I06-2598 DTXSID80381102 MolPort-001-764-182 AKOS015896988 ethyl 6,6-dimethyl-4-oxo-3-(sec-butylsulfanyl)-5,7-dihydro-2-benzothiophene-1-carboxylate C-55419 KB-77058 AC1MCTY7 CHEMBL2112673 ethyl 3-(sec-butylthio)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate Oprea1_222011 BDBM50454295 [ Show all ]
Inchi Key	AMPIBRMRXUZXOA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H24O3S2/c1-6-10(3)21-16-13-11(8-17(4,5)9-12(13)18)14(22-16)15(19)20-7-2/h10H,6-9H2,1-5H3
PubChem CID	2778735
ChEMBL	CHEMBL2112673
IUPHAR	N/A
BindingDB	50454295
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
9128	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
9129	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410

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