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Ligand

NameCHEMBL108845
Molecular formulaC29H38N2O2
IUPAC name1-[4-[[1-[1-(2,6-dimethylbenzoyl)-4-methylpiperidin-4-yl]piperidin-4-yl]methyl]phenyl]ethanone
Molecular weight446.635
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.3
SynonymsAC1LACIY
1,4'-Bipiperidine, 4-[(4-acetylphenyl)methyl]-1'-(2,6-dimethylbenzoyl)-4'-methyl-
1-{4-[1''-(2,6-Dimethyl-benzoyl)-4''-methyl-[1,4'']bipiperidinyl-4-ylmethyl]-phenyl}-ethanone
BDBM50115514
1-[4-[[1-[1-(2,6-dimethylbenzoyl)-4-methyl-4-piperidyl]-4-piperidyl]methyl]phenyl]ethanone
[ Show all ]
Inchi KeyPGHGXGPMAYCWGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H38N2O2/c1-21-6-5-7-22(2)27(21)28(33)30-18-14-29(4,15-19-30)31-16-12-25(13-17-31)20-24-8-10-26(11-9-24)23(3)32/h5-11,25H,12-20H2,1-4H3
PubChem CID511308
ChEMBLCHEMBL108845
IUPHARN/A
BindingDB50115514
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
259061C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352
259062C-C chemokine receptor type 5P51682Ccr5Mus musculus (Mouse)354

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