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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

NameCHEMBL3663426
Molecular formulaC24H23FN4O2
IUPAC name[2-[(5-fluoropyridin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(4-methyl-2-pyrimidin-2-ylphenyl)methanone
Molecular weight418.472
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM163991
SCHEMBL16040612
US9062078, 122
Inchi KeyAWFBWQSVKFITPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23FN4O2/c1-15-3-6-19(20(11-15)23-26-9-2-10-27-23)24(30)29-18-5-7-21(29)16(12-18)14-31-22-8-4-17(25)13-28-22/h2-4,6,8-11,13,16,18,21H,5,7,12,14H2,1H3
PubChem CID90412175
ChEMBLCHEMBL3663426
IUPHARN/A
BindingDB163991
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
464840Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
517402Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
464841Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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