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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	CHEMBL110463
Molecular formula	C28H38N2OS
IUPAC name	(2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight	450.685
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	6.1
Synonyms	(2,6-Dimethyl-phenyl)-[4''-methyl-4-(4-methylsulfanyl-benzyl)-[1,4'']bipiperidinyl-1''-yl]-methanone 1,4'-Bipiperidine, 1'-(2,6-dimethylbenzoyl)-4'-methyl-4-[[4-(methylthio)phenyl]methyl]- BDBM50115544 (2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-methylsulfanylphenyl)methyl]-1-piperidyl]-1-piperidyl]methanone (2,6-dimethylphenyl)-[4-methyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]methanone AC1LACI4 [ Show all ]
Inchi Key	OQLJNIIPOOCAGL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H38N2OS/c1-21-6-5-7-22(2)26(21)27(31)29-18-14-28(3,15-19-29)30-16-12-24(13-17-30)20-23-8-10-25(32-4)11-9-23/h5-11,24H,12-20H2,1-4H3
PubChem CID	511296
ChEMBL	CHEMBL110463
IUPHAR	N/A
BindingDB	50115544
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
247921	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
247922	C-C chemokine receptor type 5	P51682	Ccr5	Mus musculus (Mouse)	354

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