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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

NameCHEMBL568296
Molecular formulaC25H31N3O2
IUPAC name[9-[(2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-4-ylmethanone
Molecular weight405.542
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.4
SynonymsSCHEMBL4239440
BDBM50414972
Inchi KeyJQIOFPJNEBMYKB-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N3O2/c1-19-17-21-3-2-4-22(23(21)30-19)18-27-13-7-25(8-14-27)9-15-28(16-10-25)24(29)20-5-11-26-12-6-20/h2-6,11-12,19H,7-10,13-18H2,1H3
PubChem CID16065425
ChEMBLCHEMBL568296
IUPHARN/A
BindingDB50414972
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
157307C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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