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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-0435537.0001
Molecular formula	C21H26N2O5S2
IUPAC name	N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
Molecular weight	450.568
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.3
Synonyms	N-(2-methoxy-5-morpholinosulfonyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide MCULE-9145343109 Z27833867 AKOS000942599 N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide CHEMBL1733898 N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide ZINC9642793 BDBM68311 N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide cid_16305071 N-[2-methoxy-5-(morpholine-4-sulfonyl)phenyl]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carboxamide 878937-27-0 MolPort-003-199-454 [ Show all ]
Inchi Key	BZXFRVYHKUFYBJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26N2O5S2/c1-27-18-8-7-16(30(25,26)23-9-11-28-12-10-23)14-17(18)22-21(24)20-13-15-5-3-2-4-6-19(15)29-20/h7-8,13-14H,2-6,9-12H2,1H3,(H,22,24)
PubChem CID	16305071
ChEMBL	CHEMBL1733898
IUPHAR	N/A
BindingDB	68311
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
36886	Cannabinoid receptor 1	P21554	CNR1	Homo sapiens (Human)	472
36887	Cannabinoid receptor 2	P34972	CNR2	Homo sapiens (Human)	360
36888	G-protein coupled receptor 35	Q9HC97	GPR35	Homo sapiens (Human)	309
36889	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319

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