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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

NameCHEMBL3974582
Molecular formulaC23H21F2N7O3
IUPAC name[2-fluoro-3-methoxy-6-(triazol-2-yl)phenyl]-[(3R)-3-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
Molecular weight481.464
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM184095
SCHEMBL14939542
US9150566, 133
Inchi KeyAHOIUZFUVOTFMM-QGZVFWFLSA-N
Inchi IDInChI=1S/C23H21F2N7O3/c1-34-20-5-4-19(32-28-8-9-29-32)21(22(20)25)23(33)30-10-11-35-14-17(30)13-15-12-16(2-3-18(15)24)31-26-6-7-27-31/h2-9,12,17H,10-11,13-14H2,1H3/t17-/m1/s1
PubChem CID89559808
ChEMBLCHEMBL3974582
IUPHARN/A
BindingDB184095
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
459272Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
459273Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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