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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

NameCHEMBL1183318
Molecular formulaC8H18N2O2
IUPAC name1-[(E)-ethylideneamino]oxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight174.244
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP0.1
SynonymsBDBM50036843
Acetaldehyde O-(2-hydroxy-3-isopropylamino-propyl)-oxime; compound with (E)-but-2-enedioic acid
Inchi KeyXPAWJQUCISBPJW-ONNFQVAWSA-N
Inchi IDInChI=1S/C8H18N2O2/c1-4-10-12-6-8(11)5-9-7(2)3/h4,7-9,11H,5-6H2,1-3H3/b10-4+
PubChem CID11819522
ChEMBLN/A
IUPHARN/A
BindingDB50036843
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
397532Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
397533Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418
397534Beta-2 adrenergic receptorQ28044ADRB2Bos taurus (Bovine)418

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