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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	SMR000028039
Molecular formula	C20H18N2O4S
IUPAC name	N-(1,3-benzodioxol-5-yl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
Molecular weight	382.434
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.8
Synonyms	N-1,3-benzodioxol-5-yl-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]acetamide cid_3242817 AKOS001811956 MLS000092489 N-(1,3-benzodioxol-5-yl)-2-[(1-ethyl-2-keto-4-quinolyl)thio]acetamide HMS2441L05 BDBM47104 N-(1,3-benzodioxol-5-yl)-2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-ethanamide N-(1,3-benzodioxol-5-yl)-2-[(1-ethyl-2-oxo-4-quinolinyl)thio]acetamide CHEMBL1575003 ZINC4076664 AC1MMQG6 MCULE-3924464342 N-(1,3-benzodioxol-5-yl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide CHEBI:116900 [ Show all ]
Inchi Key	BKYJKWFYEDIXAQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N2O4S/c1-2-22-15-6-4-3-5-14(15)18(10-20(22)24)27-11-19(23)21-13-7-8-16-17(9-13)26-12-25-16/h3-10H,2,11-12H2,1H3,(H,21,23)
PubChem CID	3242817
ChEMBL	CHEMBL1575003
IUPHAR	N/A
BindingDB	47104
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
26275	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
26273	D(1B) dopamine receptor	P21918	DRD5	Homo sapiens (Human)	477
26274	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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