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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

NameCHEMBL395424
Molecular formulaC25H26BrN3O3
IUPAC name3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
Molecular weight496.405
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.4
SynonymsSCHEMBL6820588
BDBM50423250
Inchi KeyHWCDHOIKZOMDSX-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26BrN3O3/c1-31-20-6-7-23-22(14-20)21(8-11-27-23)24-16-29(25(30)32-24)19-9-12-28(13-10-19)15-17-2-4-18(26)5-3-17/h2-8,11,14,19,24H,9-10,12-13,15-16H2,1H3
PubChem CID10255258
ChEMBLCHEMBL395424
IUPHARN/A
BindingDB50423250
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
125451C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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