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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

NameCHEMBL3701924
Molecular formulaC18H19F3N2O2
IUPAC name4-[(2S)-morpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
Molecular weight352.357
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.6
SynonymsSCHEMBL12609917
US8802673, 25
BDBM129383
Inchi KeyHFQWIWDTZQPAMR-QGZVFWFLSA-N
Inchi IDInChI=1S/C18H19F3N2O2/c19-18(20,21)25-16-7-1-13(2-8-16)11-23-15-5-3-14(4-6-15)17-12-22-9-10-24-17/h1-8,17,22-23H,9-12H2/t17-/m1/s1
PubChem CID68325652
ChEMBLCHEMBL3701924
IUPHARN/A
BindingDB129383
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
113679Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
113680Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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