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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL426813
Molecular formulaC21H24ClN3O3
IUPAC name4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Molecular weight401.891
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.6
Synonyms4-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethoxy}-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione
BDBM50171890
Inchi KeyAJURAEJVSNFUBV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H24ClN3O3/c22-16-3-1-2-4-17(16)24-9-7-23(8-10-24)11-12-28-25-20(26)18-14-5-6-15(13-14)19(18)21(25)27/h1-6,14-15,18-19H,7-13H2
PubChem CID44399126
ChEMBLCHEMBL426813
IUPHARN/A
BindingDB50171890
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
72475-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
72435-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
72465-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
7244D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
7245D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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