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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	CHEMBL402442
Molecular formula	C29H33BrFN3O2
IUPAC name	(E)-3-(3-bromo-4-fluorophenyl)-1-[4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one
Molecular weight	554.504
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.1
Synonyms	BDBM50377040
Inchi Key	ADCWDMMOFNYAJK-SOFGYWHQSA-N
Inchi ID	InChI=1S/C29H33BrFN3O2/c30-25-17-20(5-7-26(25)31)6-8-29(36)34-15-11-22(12-16-34)28(19-35)33-13-9-21(10-14-33)24-18-32-27-4-2-1-3-23(24)27/h1-8,17-18,21-22,28,32,35H,9-16,19H2/b8-6+
PubChem CID	44449054
ChEMBL	CHEMBL402442
IUPHAR	N/A
BindingDB	50377040
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
2139	C-C chemokine receptor type 2	P41597	CCR2	Homo sapiens (Human)	374

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