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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

NameSCHEMBL1279727
Molecular formulaC23H25N5O4
IUPAC name6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-[[3-(methoxymethyl)phenyl]methyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
Molecular weight435.484
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.5
SynonymsCHEMBL3911969
BDBM211363
US9247759, 12-14
Inchi KeyAGTQUZZVROQPER-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25N5O4/c1-15-20(16(2)32-25-15)13-26-12-19(10-24-26)28-21(29)23(7-8-23)27(22(28)30)11-17-5-4-6-18(9-17)14-31-3/h4-6,9-10,12H,7-8,11,13-14H2,1-3H3
PubChem CID59524401
ChEMBLCHEMBL3911969
IUPHARN/A
BindingDB211363
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
519720Taste receptor type 2 member 8Q9NYW2TAS2R8Homo sapiens (Human)309

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