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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	SMR000000828
Molecular formula	C26H22N2O6S
IUPAC name	N-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Molecular weight	490.53
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.8
Synonyms	HMS2334P16 AKOS000775716 N-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CHEMBL1444343 2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid {[(furan-2-ylmethyl)-carbamoyl]-thiophen-2-yl-methyl}-(3-hydroxy-phenyl)-amide MLS000030274 ASN 09858518 HMS1693G22 AC1LDDFH MLS000889506 [ Show all ]
Inchi Key	ABASPDXXGVZLIQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H22N2O6S/c29-18-7-3-6-17(14-18)28(26(31)22-16-33-20-9-1-2-10-21(20)34-22)24(23-11-5-13-35-23)25(30)27-15-19-8-4-12-32-19/h1-14,22,24,29H,15-16H2,(H,27,30)
PubChem CID	646329
ChEMBL	CHEMBL1444343
IUPHAR	N/A
BindingDB	N/A
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
713	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
712	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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