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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	SMR000063314
Molecular formula	C23H24N2O6S
IUPAC name	2-(1,3-dioxoisoindol-2-yl)ethyl 4-(azepan-1-ylsulfonyl)benzoate
Molecular weight	456.513
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.8
Synonyms	AKOS033639791 HMS2375C20 562048-09-3 MLS000863972 Z18736269 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl 4-(azepane-1-sulfonyl)benzoate MCULE-5416840368 AC1M1HVD MolPort-004-036-271 CHEMBL1331691 ZINC2634418 2-(1,3-dioxoisoindol-2-yl)ethyl 4-(azepan-1-ylsulfonyl)benzoate MLS000058221 [ Show all ]
Inchi Key	AEVQUNYDBXFHOP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24N2O6S/c26-21-19-7-3-4-8-20(19)22(27)25(21)15-16-31-23(28)17-9-11-18(12-10-17)32(29,30)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-16H2
PubChem CID	2096970
ChEMBL	CHEMBL1331691
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
3890	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
3889	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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