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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

NameCHEMBL3659238
Molecular formulaC22H22FN5O2
IUPAC name[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrazol-1-ylpyridin-2-yl)methanone
Molecular weight407.449
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.1
SynonymsBDBM163939
SCHEMBL16039061
US9062078, 70
Inchi KeyFVRBZEZQMMWCNM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22FN5O2/c1-14-3-6-19(27-10-2-9-25-27)21(26-14)22(29)28-17-5-7-18(28)15(11-17)13-30-20-8-4-16(23)12-24-20/h2-4,6,8-10,12,15,17-18H,5,7,11,13H2,1H3
PubChem CID90411122
ChEMBLCHEMBL3659238
IUPHARN/A
BindingDB163939
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
473829Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517780Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
473828Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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