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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

NameCHEMBL31533
Molecular formulaC19H29N2O3+
IUPAC name3-(1,3-dioxoisoindol-2-yl)propyl-(6-hydroxyhexyl)-dimethylazanium
Molecular weight333.452
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.6
SynonymsN/A
Inchi KeyAANUETUASYUMLM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H29N2O3/c1-21(2,13-7-3-4-8-15-22)14-9-12-20-18(23)16-10-5-6-11-17(16)19(20)24/h5-6,10-11,22H,3-4,7-9,12-15H2,1-2H3/q+1
PubChem CID44279153
ChEMBLCHEMBL31533
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
363Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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