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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL107234
Molecular formulaC14H25N3O2
IUPAC name8-methyl-3-(2-oxopropyl)-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight267.373
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP0.7
Synonyms8-Methyl-3-(2-oxo-propyl)-1-propyl-1,3,8-triaza-spiro[4.5]decan-4-one
BDBM50052510
Inchi KeyCKJZBWJFHUDRMJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H25N3O2/c1-4-7-17-11-16(10-12(2)18)13(19)14(17)5-8-15(3)9-6-14/h4-11H2,1-3H3
PubChem CID44337466
ChEMBLCHEMBL107234
IUPHARN/A
BindingDB50052510
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
44126B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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