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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	C-55419 ethyl 6,6-dimethyl-4-oxo-3-(sec-butylsulfanyl)-5,7-dihydro-2-benzothiophene-1-carboxylate AC1MCTY7 CHEMBL2112673 KB-77058 BDBM50454295 ethyl 3-(sec-butylthio)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate Oprea1_222011 4,5,6,7-Tetrahydro-6,6-dimethyl-3-[(1-methylpropyl)thio]-4-oxobenzo[c]thiophene-1-carboxylic acid ethyl ester CCG-240468 FT-0625996 ACM172516448 CTK8H2434 MCULE-2559181771 Benzo[c]thiophene-1-carboxylicacid,4,5,6,7-tetrahydro-6,6-dimethyl-3-[(1-methylpropyl)thio]-4-oxo-,ethylester ethyl 3-butan-2-ylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate ZX-AT025682 I06-2598 AKOS015896988 DTXSID80381102 MolPort-001-764-182 [ 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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