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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

NameCHEMBL134404
Molecular formulaC25H33NO4
IUPAC name[5-[(4-hydroxypiperidin-1-yl)methyl]furan-2-yl]methyl 2-cyclohexyl-2-phenylacetate
Molecular weight411.542
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.8
SynonymsN/A
Inchi KeyDDNBSKGLMXNTLR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33NO4/c27-21-13-15-26(16-14-21)17-22-11-12-23(30-22)18-29-25(28)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1,3-4,7-8,11-12,20-21,24,27H,2,5-6,9-10,13-18H2
PubChem CID10386935
ChEMBLCHEMBL134404
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
57219Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
57218Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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