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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	CHEMBL317476
Molecular formula	C28H35F3N2O2
IUPAC name	(2,6-dimethylphenyl)-[4-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]piperidin-1-yl]methanone
Molecular weight	488.595
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	6.8
Synonyms	(2,6-dimethylphenyl)-[4-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperidyl]-1-piperidyl]methanone (2,6-dimethylphenyl)-[4-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-1-yl]piperidin-1-yl]methanone AC1LACIP (2,6-Dimethyl-phenyl)-[4''-methyl-4-(4-trifluoromethoxy-benzyl)-[1,4'']bipiperidinyl-1''-yl]-methanone 1,4'-Bipiperidine, 1'-(2,6-dimethylbenzoyl)-4'-methyl-4-[[4-(trifluoromethoxy)phenyl]methyl]- BDBM50115546 [ Show all ]
Inchi Key	XRUMZMCHUHDEQQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H35F3N2O2/c1-20-5-4-6-21(2)25(20)26(34)32-17-13-27(3,14-18-32)33-15-11-23(12-16-33)19-22-7-9-24(10-8-22)35-28(29,30)31/h4-10,23H,11-19H2,1-3H3
PubChem CID	511305
ChEMBL	CHEMBL317476
IUPHAR	N/A
BindingDB	50115546
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
399277	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
399278	C-C chemokine receptor type 5	P51682	Ccr5	Mus musculus (Mouse)	354

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