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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

NameMLS000089771
Molecular formulaC23H30N2O2
IUPAC name1-[4-(4-methylphenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
Molecular weight366.505
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.3
SynonymsAKOS021994733
MLS002585143
1-[4-(4-methylphenyl)-1-piperazinyl]-3-(2-prop-2-enylphenoxy)-2-propanol
CHEMBL1548605
SMR000024389
[ Show all ]
Inchi KeyBEYGANIWMHXXHZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30N2O2/c1-3-6-20-7-4-5-8-23(20)27-18-22(26)17-24-13-15-25(16-14-24)21-11-9-19(2)10-12-21/h3-5,7-12,22,26H,1,6,13-18H2,2H3
PubChem CID3237370
ChEMBLCHEMBL1548605
IUPHARN/A
BindingDB61795
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22038Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
22039Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
22037Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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