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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

NameCHEMBL36211
Molecular formulaC23H33NO4
IUPAC name1-(tert-butylamino)-3-[4-[2-(2-phenylethoxy)ethoxy]phenoxy]propan-2-ol
Molecular weight387.52
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL11097637
Inchi KeyFFIRVVRXUZGYSC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H33NO4/c1-23(2,3)24-17-20(25)18-28-22-11-9-21(10-12-22)27-16-15-26-14-13-19-7-5-4-6-8-19/h4-12,20,24-25H,13-18H2,1-3H3
PubChem CID13210844
ChEMBLCHEMBL36211
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
77132Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
77133Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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