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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

NameCHEMBL583621
Molecular formulaC26H33N3O2
IUPAC name[9-[(2,2-dimethyl-3H-1-benzofuran-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-4-ylmethanone
Molecular weight419.569
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50414979
SCHEMBL4239363
Inchi KeyIRHNBISUJFEBRF-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33N3O2/c1-25(2)18-22-21(4-3-5-23(22)31-25)19-28-14-8-26(9-15-28)10-16-29(17-11-26)24(30)20-6-12-27-13-7-20/h3-7,12-13H,8-11,14-19H2,1-2H3
PubChem CID16065567
ChEMBLCHEMBL583621
IUPHARN/A
BindingDB50414979
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
139968C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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