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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	CHEMBL418997
Molecular formula	C31H42BrN3O2
IUPAC name	[4-[4-[(Z)-C-(4-bromophenyl)-N-[(2-methylpropan-2-yl)oxy]carbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight	568.6
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	7.0
Synonyms	BDBM50115529 [4-[4-[(Z)-C-(4-bromophenyl)-N-tert-butoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone 1,4'-Bipiperidine, 4-[(Z)-(4-bromophenyl)[(1,1-dimethylethoxy)imino]methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl- {4-[(4-Bromo-phenyl)-tert-butoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone
Inchi Key	RYDCEMWPUOVZIA-PJJLUWSFSA-N
Inchi ID	InChI=1S/C31H42BrN3O2/c1-22-8-7-9-23(2)27(22)29(36)34-20-16-31(6,17-21-34)35-18-14-25(15-19-35)28(33-37-30(3,4)5)24-10-12-26(32)13-11-24/h7-13,25H,14-21H2,1-6H3/b33-28+
PubChem CID	9579313
ChEMBL	CHEMBL418997
IUPHAR	N/A
BindingDB	50115529
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
307977	C-C chemokine receptor type 5	P51682	Ccr5	Mus musculus (Mouse)	354

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