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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

NameMLS000731978
Molecular formulaC24H43N3O
IUPAC name[1-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
Molecular weight389.628
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.4
SynonymsHMS2773P04
SMR000316006
CHEMBL1572048
Opera_ID_662
1'-(2,6-dimethylhept-5-en-1-yl)-4-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidine
Inchi KeyACTZNLVSJNXYJN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H43N3O/c1-20(2)7-6-8-21(3)19-25-15-11-23(12-16-25)26-17-9-22(10-18-26)24(28)27-13-4-5-14-27/h7,21-23H,4-6,8-19H2,1-3H3
PubChem CID16188984
ChEMBLCHEMBL1572048
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
1933Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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