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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	CHEMBL206982
Molecular formula	C26H26F2N4O5S
IUPAC name	methyl 2-fluoro-6-[3-fluoro-4-[[[5-(4-methylsulfonylpiperazine-1-carbonyl)pyridin-2-yl]amino]methyl]phenyl]benzoate
Molecular weight	544.574
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	2.9
Synonyms	BDBM50184202 3,3''-difluoro-4''-{[5-(4-methanesulfonyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-biphenyl-2-carboxylic acid methyl ester
Inchi Key	ABLYVJOFXZRDEU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H26F2N4O5S/c1-37-26(34)24-20(4-3-5-21(24)27)17-6-7-18(22(28)14-17)15-29-23-9-8-19(16-30-23)25(33)31-10-12-32(13-11-31)38(2,35)36/h3-9,14,16H,10-13,15H2,1-2H3,(H,29,30)
PubChem CID	44411360
ChEMBL	CHEMBL206982
IUPHAR	N/A
BindingDB	50184202
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
951	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353

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