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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	CHEMBL108845
Molecular formula	C29H38N2O2
IUPAC name	1-[4-[[1-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]piperidin-4-yl]methyl]phenyl]ethanone
Molecular weight	446.635
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.3
Synonyms	1-[4-[[1-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]piperidin-4-yl]methyl]phenyl]ethanone AC1LACIY 1,4'-Bipiperidine, 4-[(4-acetylphenyl)methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl- 1-{4-[1''-(2,6-Dimethyl-benzoyl)-4''-methyl-[1,4'']bipiperidinyl-4-ylmethyl]-phenyl}-ethanone BDBM50115514 1-[4-[[1-[1-(2,6-dimethylbenzoyl)-4-methyl-4-piperidyl]-4-piperidyl]methyl]phenyl]ethanone [ Show all ]
Inchi Key	PGHGXGPMAYCWGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H38N2O2/c1-21-6-5-7-22(2)27(21)28(33)30-18-14-29(4,15-19-30)31-16-12-25(13-17-31)20-24-8-10-26(11-9-24)23(3)32/h5-11,25H,12-20H2,1-4H3
PubChem CID	511308
ChEMBL	CHEMBL108845
IUPHAR	N/A
BindingDB	50115514
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
259061	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
259062	C-C chemokine receptor type 5	P51682	Ccr5	Mus musculus (Mouse)	354

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