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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

NameCHEMBL545575
Molecular formulaC16H24N2O2
IUPAC name1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight276.38
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.4
SynonymsBDBM50404485
CHEMBL1194069
Inchi KeyCVFFXSDVXHTRJV-BFHPBESDSA-N
Inchi IDInChI=1S/C16H24N2O2/c1-13(2)17-11-16(19)12-20-18-14(3)9-10-15-7-5-4-6-8-15/h4-10,13,16-17,19H,11-12H2,1-3H3/b10-9+,18-14+
PubChem CID12606703
ChEMBLN/A
IUPHARN/A
BindingDB50404485
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
51411Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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