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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	168279-54-7
Molecular formula	C12H14O3S2
IUPAC name	ethyl 3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate
Molecular weight	270.361
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.1
Synonyms	Benzo[c]thiophene-1-carboxylic acid,4,5,6,7-tetrahydro-3-(methylthio)-4-oxo-,ethyl ester CTK0H3428 FT-0625995 Maybridge1_004428 RT-012581 CCG-240492 ethyl 3-(methylsulfanyl)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate HMS554B06 MLS001060786 ZINC4284548 BDBM50048448 CHEMBL335334 ethyl 3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate KB-82889 OR25280 BHVLZDJJLSBOHJ-UHFFFAOYSA-N DB-043732 HMS2203P07 MCULE-7732045155 SCHEMBL1857463 3-(Methylthio)-4(5H)-oxo-6,7-dihydrobenzo[c]thiophene-1-carboxylic acid ethyl ester CHEBI:93396 ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate I14-35096 MolPort-001-764-188 ZX-AT002948 AC1MCTZ1 Benzo[c]thiophene-1-carboxylic acid, 4,5,6,7-tetrahydro-3-(methylthio)-4-oxo-, ethyl ester CS-0061572 Ethyl 4,5,6,7-tetrahydro-3-methylthio-4-oxobenzo[c]thiophene-1-carboxylate KS-00002A6B PS-4388 CC-27848 ethyl 3-(methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate HMS3328D18 MLS000859256 SMR000459435 3-Methylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid ethyl ester Ethyl 3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1carboxylate K-5207 Oprea1_127072 AKOS015908754 [ Show all ]
Inchi Key	BHVLZDJJLSBOHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H14O3S2/c1-3-15-11(14)10-7-5-4-6-8(13)9(7)12(16-2)17-10/h3-6H2,1-2H3
PubChem CID	2778748
ChEMBL	CHEMBL335334
IUPHAR	N/A
BindingDB	50048448
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
24130	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
24132	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
24131	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
24133	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
24134	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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