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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

NameSCHEMBL1716434
Molecular formulaC24H25FN4O2
IUPAC name[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyrazin-2-ylphenyl)methanone
Molecular weight420.488
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.5
SynonymsCHEMBL3655664
BDBM104690
US8569311, B-3
Inchi KeyFXCKYYUAELZRMB-QZTJIDSGSA-N
Inchi IDInChI=1S/C24H25FN4O2/c1-16-3-7-20(22-13-26-9-10-27-22)21(11-16)24(30)29-14-18(5-4-17(29)2)15-31-23-8-6-19(25)12-28-23/h3,6-13,17-18H,4-5,14-15H2,1-2H3/t17-,18-/m1/s1
PubChem CID25128141
ChEMBLCHEMBL3655664
IUPHARN/A
BindingDB104690
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
89453Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
89454Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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