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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

NameCHEMBL410885
Molecular formulaC27H30N4O2
IUPAC name[9-[(3-phenoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrimidin-4-ylmethanone
Molecular weight442.563
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50414968
Inchi KeyGDZWYFZOGVMUEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H30N4O2/c32-26(25-9-14-28-21-29-25)31-17-12-27(13-18-31)10-15-30(16-11-27)20-22-5-4-8-24(19-22)33-23-6-2-1-3-7-23/h1-9,14,19,21H,10-13,15-18,20H2
PubChem CID44456948
ChEMBLCHEMBL410885
IUPHARN/A
BindingDB50414968
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
94136C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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