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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

NameCHEMBL573216
Molecular formulaC28H32N4O3
IUPAC name[9-[[2-(2-methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrimidin-4-ylmethanone
Molecular weight472.589
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50414966
Inchi KeyGMCICJZIANWTML-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H32N4O3/c1-34-25-8-4-5-9-26(25)35-24-7-3-2-6-22(24)20-31-16-11-28(12-17-31)13-18-32(19-14-28)27(33)23-10-15-29-21-30-23/h2-10,15,21H,11-14,16-20H2,1H3
PubChem CID44598821
ChEMBLCHEMBL573216
IUPHARN/A
BindingDB50414966
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
99780C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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