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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

NameCHEMBL567419
Molecular formulaC26H35N3O2
IUPAC name[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyridin-4-ylmethanone
Molecular weight421.585
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.2
SynonymsSCHEMBL5396159
BDBM50414961
Inchi KeyGLKFHODDQQHCAX-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H35N3O2/c1-21(2)20-31-24-6-4-3-5-23(24)19-28-15-9-26(10-16-28)11-17-29(18-12-26)25(30)22-7-13-27-14-8-22/h3-8,13-14,21H,9-12,15-20H2,1-2H3
PubChem CID44598057
ChEMBLCHEMBL567419
IUPHARN/A
BindingDB50414961
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
99376C-C chemokine receptor type 8P51685CCR8Homo sapiens (Human)355

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