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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

NameCHEMBL3663428
Molecular formulaC23H20F2N4O2
IUPAC name[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
Molecular weight422.436
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM163993
SCHEMBL16041858
US9062078, 124
Inchi KeyAOCUBVGHAGVKIE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20F2N4O2/c24-15-5-8-20(28-12-15)31-13-14-11-16-6-7-19(14)29(16)23(30)17-3-1-4-18(25)21(17)22-26-9-2-10-27-22/h1-5,8-10,12,14,16,19H,6-7,11,13H2
PubChem CID90413164
ChEMBLCHEMBL3663428
IUPHARN/A
BindingDB163993
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
464112Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517372Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
464111Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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