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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL3960882
Molecular formulaC21H25N3O3
IUPAC name1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2S)-2-(pyridin-2-yloxymethyl)morpholin-4-yl]ethanone
Molecular weight367.449
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.4
SynonymsN/A
Inchi KeyJARTYEPYHDKVNL-DAFXYXGESA-N
Inchi IDInChI=1S/C21H25N3O3/c1-16-12-17-6-2-3-7-19(17)24(16)21(25)14-23-10-11-26-18(13-23)15-27-20-8-4-5-9-22-20/h2-9,16,18H,10-15H2,1H3/t16?,18-/m0/s1
PubChem CID134156180
ChEMBLCHEMBL3960882
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
5497385-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421

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