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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

NameCHEMBL50993
Molecular formulaC25H36N2O3
IUPAC name8-[4-[3,4-dihydro-2H-chromen-3-yl(propyl)amino]butyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight412.574
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.6
Synonyms8-[4-(Chroman-3-yl-propyl-amino)-butyl]-8-aza-spiro[4.5]decane-7,9-dione; compound with oxalic acid
CHEMBL26783
BDBM50036851
Inchi KeyFVLLVXYMXQHQOB-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H36N2O3/c1-2-13-26(21-16-20-9-3-4-10-22(20)30-19-21)14-7-8-15-27-23(28)17-25(18-24(27)29)11-5-6-12-25/h3-4,9-10,21H,2,5-8,11-19H2,1H3
PubChem CID10047322
ChEMBLCHEMBL26783
IUPHARN/A
BindingDB50036851
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
882675-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
882725-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
882685-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
88270Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
88271Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
88269D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
88273D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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