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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	MLS-0435539.0001
Molecular formula	C22H28N2O5S2
IUPAC name	N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
Molecular weight	464.595
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.8
Synonyms	ZINC13164273 BDBM68313 N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide cid_16310040 N-[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-2-carboxamide 920593-79-9 MolPort-004-195-537 N-(2-methoxy-5-morpholinosulfonyl-phenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide MCULE-6932739580 Z27831774 AKOS034028907 N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide CHEMBL1697974 N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide [ Show all ]
Inchi Key	DMFJVESKRGCNOS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H28N2O5S2/c1-28-19-9-8-17(31(26,27)24-10-12-29-13-11-24)15-18(19)23-22(25)21-14-16-6-4-2-3-5-7-20(16)30-21/h8-9,14-15H,2-7,10-13H2,1H3,(H,23,25)
PubChem CID	16310040
ChEMBL	CHEMBL1697974
IUPHAR	N/A
BindingDB	68313
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
63621	Cannabinoid receptor 1	P21554	CNR1	Homo sapiens (Human)	472
63622	Cannabinoid receptor 2	P34972	CNR2	Homo sapiens (Human)	360
63620	G-protein coupled receptor 35	Q9HC97	GPR35	Homo sapiens (Human)	309
63623	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319

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