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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	SMR000078971
Molecular formula	C21H26N2O5S2
IUPAC name	N-(2-ethoxyphenyl)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
Molecular weight	450.568
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.6
Synonyms	N-(2-ethoxyphenyl)-4-(methylthio)-N-[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide CHEMBL1589419 MCULE-1553753976 N-(2-ethoxyphenyl)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide MolPort-001-007-290 STL119145 BDBM89726 N-(2-ethoxyphenyl)-4-(methylthio)-N-[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide (non-preferred name) cid_2964580 MLS-0045648.0001 N-(2-keto-2-morpholino-ethyl)-4-(methylthio)-N-o-phenetyl-benzenesulfonamide AC1MGPCD N-(2-ethoxyphenyl)-4-(methylsulfanyl)-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide ZINC4196185 N-(2-ethoxyphenyl)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-oxidanylidene-ethyl)benzenesulfonamide HMS2190J12 MLS000051091 AKOS000381648 [ Show all ]
Inchi Key	KOGDCWJXKPVPPR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26N2O5S2/c1-3-28-20-7-5-4-6-19(20)23(16-21(24)22-12-14-27-15-13-22)30(25,26)18-10-8-17(29-2)9-11-18/h4-11H,3,12-16H2,1-2H3
PubChem CID	2964580
ChEMBL	CHEMBL1589419
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
174010	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764
174011	Thyrotropin-releasing hormone receptor	P34981	TRHR	Homo sapiens (Human)	398

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