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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	CHEMBL481196
Molecular formula	C21H27F4N3O4S
IUPAC name	(1S,4R)-1-[[(3S)-4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-3-(hydroxymethyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Molecular weight	493.518
Hydrogen bond acceptor	11
Hydrogen bond donor	1
XlogP	2.2
Synonyms	BDBM50412562
Inchi Key	XYUANRDCROYGLA-IAMHBRQHSA-N
Inchi ID	InChI=1S/C21H27F4N3O4S/c1-19(2)13-3-4-20(19,17(30)8-13)12-33(31,32)27-5-6-28(15(10-27)11-29)18-16(22)7-14(9-26-18)21(23,24)25/h7,9,13,15,29H,3-6,8,10-12H2,1-2H3/t13-,15+,20-/m1/s1
PubChem CID	44570218
ChEMBL	CHEMBL481196
IUPHAR	N/A
BindingDB	50412562
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

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
404178	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368
404179	C-X-C chemokine receptor type 3	O88410	Cxcr3	Mus musculus (Mouse)	367

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