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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	CHEMBL107999
Molecular formula	C28H37FN4O3
IUPAC name	(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-[4-[(Z)-N-ethoxy-C-(4-fluorophenyl)carbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
Molecular weight	496.627
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.7
Synonyms	(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-[4-[(Z)-N-ethoxy-C-(4-fluorophenyl)carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-(4-fluoro-phenyl)-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-methanone BDBM50115536 Pyridine, 3-[[4-[(Z)-(ethoxyimino)(4-fluorophenyl)methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-2,4-dimethyl-, 1-oxide
Inchi Key	RKBTUANFFZVZKX-URGPHPNLSA-N
Inchi ID	InChI=1S/C28H37FN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3/b30-26+
PubChem CID	9579334
ChEMBL	CHEMBL107999
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
298155	C-C chemokine receptor type 5	P51682	Ccr5	Mus musculus (Mouse)	354

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