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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

NameCHEMBL57364
Molecular formulaC21H28ClN3O2
IUPAC name8-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight389.924
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.5
Synonyms8-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
BDBM50026941
Inchi KeyATIJQZLSMDZBIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28ClN3O2/c22-17-4-3-5-18(14-17)24-11-8-23(9-12-24)10-13-25-19(26)15-21(16-20(25)27)6-1-2-7-21/h3-5,14H,1-2,6-13,15-16H2
PubChem CID12840735
ChEMBLCHEMBL57364
IUPHARN/A
BindingDB50026941
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
139765-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
13978Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
13977Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
13975Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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