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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

NameCHEMBL1203120
Molecular formulaC22H29ClN2O5
IUPAC name5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-N-ethyl-2-hydroxybenzamide;hydrochloride
Molecular weight436.933
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyDFUFALOOCUJBOB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N2O5.ClH/c1-3-23-22(27)17-11-16(7-8-18(17)25)19(26)12-24-14(2)4-5-15-6-9-20-21(10-15)29-13-28-20;/h6-11,14,19,24-26H,3-5,12-13H2,1-2H3,(H,23,27);1H
PubChem CID49860674
ChEMBLCHEMBL1203120
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
58907Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
58908Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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