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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	CHEMBL464234
Molecular formula	C21H29F4N3O3S
IUPAC name	(1S,2S,4R)-1-[[(3S)-4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-3-methylpiperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
Molecular weight	479.535
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	3.5
Synonyms	BDBM50254758 (1S,2S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)-3-methylpiperazin-1-ylsulfonyl)methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
Inchi Key	PMSFEOUVENKQAA-AMVBQIFNSA-N
Inchi ID	InChI=1S/C21H29F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14,17,29H,4-7,9,11-12H2,1-3H3/t13-,14+,17-,20+/m0/s1
PubChem CID	25265835
ChEMBL	CHEMBL464234
IUPHAR	N/A
BindingDB	50254758
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
263562	C-X-C chemokine receptor type 3	O88410	Cxcr3	Mus musculus (Mouse)	367
263563	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368

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