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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

NameCHEMBL3942898
Molecular formulaC21H25FN2O2
IUPAC name(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(4-fluorophenoxy)methyl]morpholine
Molecular weight356.441
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM186969
SCHEMBL14150120
US9079895, 32s
Inchi KeyRTXIZQIIOLWLRO-FQEVSTJZSA-N
Inchi IDInChI=1S/C21H25FN2O2/c22-18-5-7-19(8-6-18)26-16-20-15-23(13-14-25-20)11-12-24-10-9-17-3-1-2-4-21(17)24/h1-8,20H,9-16H2/t20-/m0/s1
PubChem CID71061611
ChEMBLCHEMBL3942898
IUPHARN/A
BindingDB186969
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
5442275-hydroxytryptamine receptor 2AP35363Htr2aMus musculus (Mouse)471
5442295-hydroxytryptamine receptor 2CP34968Htr2cMus musculus (Mouse)459
544228D(4) dopamine receptorP51436Drd4Mus musculus (Mouse)387

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