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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

NameSCHEMBL2026090
Molecular formulaC26H27FN4O3
IUPAC name2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-9-quinoxalin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
Molecular weight462.525
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.0
SynonymsCHEMBL3669528
BDBM102249
US8530648, 186
Inchi KeyAANNPRMIRTUEMY-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27FN4O3/c27-20-12-18(24-19(13-20)16-33-17-34-24)15-31-9-3-6-26(25(31)32)7-10-30(11-8-26)23-14-28-21-4-1-2-5-22(21)29-23/h1-2,4-5,12-14H,3,6-11,15-17H2
PubChem CID53259959
ChEMBLCHEMBL3669528
IUPHARN/A
BindingDB102249
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
358Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
357Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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