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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	CHEMBL3426944
Molecular formula	C20H15BF4N2O4S
IUPAC name	[2-[[5-[(4-fluorophenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acid
Molecular weight	466.214
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	None
Synonyms	BDBM150812 SCHEMBL13197144 US8981106, 2 (SX-576)
Inchi Key	AEDMWJARWOMJKQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H15BF4N2O4S/c22-14-2-4-15(5-3-14)27-19(28)12-1-8-18(26-10-12)32-11-13-9-16(31-20(23,24)25)6-7-17(13)21(29)30/h1-10,29-30H,11H2,(H,27,28)
PubChem CID	46897163
ChEMBL	CHEMBL3426944
IUPHAR	N/A
BindingDB	150812
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

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
441843	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
441844	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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