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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	CHEMBL426681
Molecular formula	C32H30F2N4O3
IUPAC name	methyl 2-[4-[[[5-(4-benzylpiperazine-1-carbonyl)pyridin-2-yl]amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
Molecular weight	556.614
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	5.1
Synonyms	BDBM50184171 4''-{[5-(4-benzyl-piperazine-1-carbonyl)-pyridin-2-ylamino]-methyl}-3,3''-difluoro-biphenyl-2-carboxylic acid methyl ester
Inchi Key	AQTHFBFIIZVTTQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H30F2N4O3/c1-41-32(40)30-26(8-5-9-27(30)33)23-10-11-24(28(34)18-23)19-35-29-13-12-25(20-36-29)31(39)38-16-14-37(15-17-38)21-22-6-3-2-4-7-22/h2-13,18,20H,14-17,19,21H2,1H3,(H,35,36)
PubChem CID	44411080
ChEMBL	CHEMBL426681
IUPHAR	N/A
BindingDB	50184171
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
12075	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353

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