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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

NameCHEMBL3663420
Molecular formulaC21H19F2N5O2
IUPAC name[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[4-fluoro-2-(triazol-2-yl)phenyl]methanone
Molecular weight411.413
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM163985
SCHEMBL16042782
US9062078, 116
Inchi KeyAQEFZGZFUWLAFX-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H19F2N5O2/c22-14-1-4-17(19(10-14)28-25-7-8-26-28)21(29)27-16-3-5-18(27)13(9-16)12-30-20-6-2-15(23)11-24-20/h1-2,4,6-8,10-11,13,16,18H,3,5,9,12H2
PubChem CID90413888
ChEMBLCHEMBL3663420
IUPHARN/A
BindingDB163985
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
464287Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517380Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
464288Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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