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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	CHEMBL331140
Molecular formula	C29H38BrN3O2
IUPAC name	[4-[4-[(E)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone
Molecular weight	540.546
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	6.4
Synonyms	(Z)-{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone [4-[4-[(E)-C-(4-bromophenyl)-N-ethoxy-carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]-(2,6-dimethylphenyl)methanone AC1NUIO5 (4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''-methyl-[1,4'']bipiperidinyl-1''-yl)-(2,6-dimethyl-phenyl)-methanone 4-[alpha-[(Z)-Ethoxyimino]-4-bromobenzyl]-4'-methyl-1'-(2,6-dimethylbenzoyl)-1,4'-bi(piperidine) [4-[4-[(E)-C-(4-bromophenyl)-N-ethoxycarbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone BDBM50104935 (E)-{4-[(4-Bromo-phenyl)-ethoxyimino-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-(2,6-dimethyl-phenyl)-methanone Methanone, (4-bromophenyl)[1'-(2,6-dimethylbenzoyl)-4'-methyl[1,4'-bipiperidin]-4-yl]-, O-ethyloxime, (E)- [ Show all ]
Inchi Key	KFNRGFZWGOCXDB-QVTSOHHYSA-N
Inchi ID	InChI=1S/C29H38BrN3O2/c1-5-35-31-27(23-9-11-25(30)12-10-23)24-13-17-33(18-14-24)29(4)15-19-32(20-16-29)28(34)26-21(2)7-6-8-22(26)3/h6-12,24H,5,13-20H2,1-4H3/b31-27-
PubChem CID	5479843
ChEMBL	CHEMBL331140
IUPHAR	N/A
BindingDB	50104935
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
167922	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
167923	C-C chemokine receptor type 5	P51682	Ccr5	Mus musculus (Mouse)	354

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