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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL247964
Molecular formulaC25H27N3O3
IUPAC name3-(1-benzylpiperidin-4-yl)-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
Molecular weight417.509
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM50423253
Inchi KeyLLIDEMDMIYDCFB-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3O3/c1-30-20-7-8-23-22(15-20)21(9-12-26-23)24-17-28(25(29)31-24)19-10-13-27(14-11-19)16-18-5-3-2-4-6-18/h2-9,12,15,19,24H,10-11,13-14,16-17H2,1H3
PubChem CID44439886
ChEMBLCHEMBL247964
IUPHARN/A
BindingDB50423253
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
190297C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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