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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

NameCHEMBL293539
Molecular formulaC21H27ClFN3O2
IUPAC name8-[2-[4-(2-chloro-5-fluorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight407.914
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
Synonyms8-{2-[4-(2-Chloro-5-fluoro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
BDBM50143666
SCHEMBL6581749
Inchi KeyBQIVUTQNTYCGLI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27ClFN3O2/c22-17-4-3-16(23)13-18(17)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
PubChem CID9844321
ChEMBLCHEMBL293539
IUPHARN/A
BindingDB50143666
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
303405-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
30339Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
30341Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
30342Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
30343Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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