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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	CHEMBL253733
Molecular formula	C27H36F4N4O2
IUPAC name	1-[1-[[9-(2,2-dimethylpropanoyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]methyl]piperidin-4-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular weight	524.605
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.4
Synonyms	BDBM50227861 1-(3-fluoro-5-(trifluoromethyl)phenyl)-3-(1-((9-pivaloyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)piperidin-4-yl)urea
Inchi Key	BWCFXDSZIVLIME-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H36F4N4O2/c1-26(2,3)24(36)35-22-5-4-6-23(35)12-17(11-22)16-34-9-7-20(8-10-34)32-25(37)33-21-14-18(27(29,30)31)13-19(28)15-21/h11,13-15,20,22-23H,4-10,12,16H2,1-3H3,(H2,32,33,37)
PubChem CID	44446451
ChEMBL	CHEMBL253733
IUPHAR	N/A
BindingDB	50227861
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
34317	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368
34318	C-X-C chemokine receptor type 3	O88410	Cxcr3	Mus musculus (Mouse)	367

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