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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	CHEMBL61536
Molecular formula	C32H40N4O2
IUPAC name	[4-[4-(N-benzylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone
Molecular weight	512.698
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.7
Synonyms	[4-[4-(N-benzylanilino)-1-piperidyl]-4-methyl-1-piperidyl]-(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)methanone [1,4'-Bipiperidin]-4-amine, 1'-[(2,4-dimethyl-1-oxido-3-pyridinyl)carbonyl]-4'-methyl-N-phenyl-N-(phenylmethyl)- AC1MHP8F [4-[4-(N-benzylanilino)piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methanone [4-(Benzyl-phenyl-amino)-4''-methyl-[1,4'']bipiperidinyl-1''-yl]-(2,4-dimethyl-1-oxy-pyridin-3-yl)-methanone BDBM50143743 SCHEMBL3837942 [ Show all ]
Inchi Key	YFEPUDFZMYDTMF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H40N4O2/c1-25-14-21-36(38)26(2)30(25)31(37)33-22-17-32(3,18-23-33)34-19-15-29(16-20-34)35(28-12-8-5-9-13-28)24-27-10-6-4-7-11-27/h4-14,21,29H,15-20,22-24H2,1-3H3
PubChem CID	3008902
ChEMBL	CHEMBL61536
IUPHAR	N/A
BindingDB	50143743
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
408639	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
408640	C-C chemokine receptor type 5	P61814	CCR5	Macaca fascicularis (Crab-eating macaque)	352

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