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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	CHEMBL3964997
Molecular formula	C29H30F3N5O7S
IUPAC name	5-[3,5-dimethyl-4-[2-[[4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-2-oxa-5,7-diazaspiro[3.4]octane-6,8-dione
Molecular weight	649.642
Hydrogen bond acceptor	12
Hydrogen bond donor	2
XlogP	2.6
Synonyms	SCHEMBL17104836 US9428505, Compound 10 BDBM64566
Inchi Key	WMHJWHBMOVKVON-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H30F3N5O7S/c1-17-13-20(37-26(40)34-25(39)28(37)15-43-16-28)14-18(2)22(17)7-12-45(41,42)36-10-8-27(9-11-36)24(38)33-23(35-27)19-3-5-21(6-4-19)44-29(30,31)32/h3-6,13-14H,7-12,15-16H2,1-2H3,(H,33,35,38)(H,34,39,40)
PubChem CID	76284228
ChEMBL	CHEMBL3964997
IUPHAR	N/A
BindingDB	64566
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

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
535597	Parathyroid hormone/parathyroid hormone-related peptide receptor	P25961	Pth1r	Rattus norvegicus (Rat)	591

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