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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

NameCHEMBL3633659
Molecular formulaC18H23N3O4
IUPAC name1-[2-(hydroxymethyl)-1H-indol-3-yl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethanone
Molecular weight345.399
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP0.1
SynonymsBDBM50133689
Inchi KeyKAANUQQTPNRUIG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H23N3O4/c1-20(11-17(24)21-6-8-25-9-7-21)10-16(23)18-13-4-2-3-5-14(13)19-15(18)12-22/h2-5,19,22H,6-12H2,1H3
PubChem CID122195449
ChEMBLCHEMBL3633659
IUPHARN/A
BindingDB50133689
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
483168G-protein coupled receptor family C group 6 member AQ8K4Z6Gprc6aMus musculus (Mouse)928

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