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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	CHEMBL443999
Molecular formula	C27H35BrN4O2
IUPAC name	[4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2-methylpyridin-3-yl)methanone
Molecular weight	527.507
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.0
Synonyms	{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2-methyl-pyridin-3-yl)-methanone BDBM50115519 Pyridine, 3-[[4-[(Z)-(4-bromophenyl)(ethoxyimino)methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-2-methyl- 4-[(Z)-(4-Bromophenyl)(ethoxyimino)methyl]-4''-methyl-1''-[(2-methyl-3-pyridinyl)carbonyl]-1,4''-bipiperidine [4-[4-[(Z)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2-methyl-3-pyridyl)methanone
Inchi Key	GXJXVSDXVMSAIP-QCWLDUFUSA-N
Inchi ID	InChI=1S/C27H35BrN4O2/c1-4-34-30-25(21-7-9-23(28)10-8-21)22-11-16-32(17-12-22)27(3)13-18-31(19-14-27)26(33)24-6-5-15-29-20(24)2/h5-10,15,22H,4,11-14,16-19H2,1-3H3/b30-25+
PubChem CID	9579318
ChEMBL	CHEMBL443999
IUPHAR	N/A
BindingDB	50115519
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
107692	C-C chemokine receptor type 5	P51682	Ccr5	Mus musculus (Mouse)	354

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