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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

NameCHEMBL395423
Molecular formulaC26H26N4O3
IUPAC name4-[[4-[5-(6-methoxyquinolin-4-yl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]benzonitrile
Molecular weight442.519
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50423247
Inchi KeyLZRXJGYRQJPRJM-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N4O3/c1-32-21-6-7-24-23(14-21)22(8-11-28-24)25-17-30(26(31)33-25)20-9-12-29(13-10-20)16-19-4-2-18(15-27)3-5-19/h2-8,11,14,20,25H,9-10,12-13,16-17H2,1H3
PubChem CID44439895
ChEMBLCHEMBL395423
IUPHARN/A
BindingDB50423247
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
200301C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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