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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

NameCHEMBL239657
Molecular formulaC14H21N2O+
IUPAC name3-[4-(8-azoniabicyclo[3.2.1]octan-8-yl)but-2-ynyl]-4,5-dihydro-1,2-oxazole
Molecular weight233.335
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.8
SynonymsBDBM50223181
8-[4-(4,5-dihydroisoxazol-3-yloxy)but-2-yn-1-yl]-8-azabicyclo[3.2.1]octane oxalate
Inchi KeyAGJHAEIJMDSYFJ-UHFFFAOYSA-O
Inchi IDInChI=1S/C14H20N2O/c1(4-12-9-11-17-15-12)2-10-16-13-5-3-6-14(16)8-7-13/h13-14H,3-11H2/p+1
PubChem CID91935644
ChEMBLN/A
IUPHARN/A
BindingDB50223181
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
4917Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
4918Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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