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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	SMR000046926
Molecular formula	C24H30N2O5S
IUPAC name	N-[(1S)-2-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide
Molecular weight	458.573
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.1
Synonyms	958965-47-4 MolPort-002-633-990 ZINC4295493 MLS000041948 AC1LDE9Z N-[(1S)-2-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide CHEMBL1413966 MLS002583829 AKOS032393637 HMS2298L15 [ Show all ]
Inchi Key	AGSUEVZKEZMOLO-APTRMMRNSA-N
Inchi ID	InChI=1S/C24H30N2O5S/c1-31-20-10-12-21(13-11-20)32(29,30)25-22(18-7-3-2-4-8-18)23(27)26-16-15-24(28)14-6-5-9-19(24)17-26/h2-4,7-8,10-13,19,22,25,28H,5-6,9,14-17H2,1H3/t19-,22-,24-/m0/s1
PubChem CID	665649
ChEMBL	CHEMBL1413966
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
5178	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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