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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

NameCHEMBL568523
Molecular formulaC26H34N4O2
IUPAC name(5-aminopyridin-2-yl)-[9-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
Molecular weight434.584
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50414974
SCHEMBL4243098
Inchi KeyCVDJZICOCOGFGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N4O2/c1-25(2)16-19-4-3-5-20(23(19)32-25)18-29-12-8-26(9-13-29)10-14-30(15-11-26)24(31)22-7-6-21(27)17-28-22/h3-7,17H,8-16,18,27H2,1-2H3
PubChem CID16064872
ChEMBLCHEMBL568523
IUPHARN/A
BindingDB50414974
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
51378C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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