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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	CHEMBL106406
Molecular formula	C27H35IN2O
IUPAC name	(2,6-dimethylphenyl)-[4-[4-[(4-iodophenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
Molecular weight	530.494
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	6.2
Synonyms	(2,6-Dimethyl-phenyl)-[4-(4-iodo-benzyl)-4''-methyl-[1,4'']bipiperidinyl-1''-yl]-methanone 1,4'-Bipiperidine, 1'-(2,6-dimethylbenzoyl)-4-[(4-iodophenyl)methyl]-4'-methyl- BDBM50115521 (2,6-dimethylphenyl)-[4-[4-[(4-iodophenyl)methyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone (2,6-dimethylphenyl)-[4-[4-[(4-iodophenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone AC1LACIJ [ Show all ]
Inchi Key	CPELYVWCRNINCS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H35IN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3
PubChem CID	511303
ChEMBL	CHEMBL106406
IUPHAR	N/A
BindingDB	50115521
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
47263	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
47264	C-C chemokine receptor type 5	P51682	Ccr5	Mus musculus (Mouse)	354

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