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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	CHEMBL106558
Molecular formula	C29H40N4O5S
IUPAC name	(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-[4-[(Z)-N-ethoxy-C-(4-methylsulfonylphenyl)carbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
Molecular weight	556.722
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.9
Synonyms	BDBM50115537 Pyridine, 3-[[4-[(Z)-(ethoxyimino)[4-(methylsulfonyl)phenyl]methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-2,4-dimethyl-, 1-oxide (2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-[4-[(Z)-N-ethoxy-C-(4-methylsulfonylphenyl)carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-(4-methanesulfonyl-phenyl)-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-methanone
Inchi Key	XUKFFCVBZPYDCD-KDJFERLWSA-N
Inchi ID	InChI=1S/C29H40N4O5S/c1-6-38-30-27(23-7-9-25(10-8-23)39(5,36)37)24-12-16-32(17-13-24)29(4)14-19-31(20-15-29)28(34)26-21(2)11-18-33(35)22(26)3/h7-11,18,24H,6,12-17,19-20H2,1-5H3/b30-27+
PubChem CID	9579332
ChEMBL	CHEMBL106558
IUPHAR	N/A
BindingDB	N/A
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
401184	C-C chemokine receptor type 5	P51682	Ccr5	Mus musculus (Mouse)	354

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