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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

NameCHEMBL553082
Molecular formulaC19H20N2O3
IUPAC name8-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenyl-1-oxa-8-azaspiro[4.5]dec-2-en-4-one
Molecular weight324.38
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.5
SynonymsBDBM50281430
CHEMBL1194672
8-(3-Methyl-isoxazol-5-ylmethyl)-3-phenyl-1-oxa-8-aza-spiro[4.5]dec-2-en-4-one; hydrochloride
Inchi KeyAEQMAVWTHJZYEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H20N2O3/c1-14-11-16(24-20-14)12-21-9-7-19(8-10-21)18(22)17(13-23-19)15-5-3-2-4-6-15/h2-6,11,13H,7-10,12H2,1H3
PubChem CID44310110
ChEMBLN/A
IUPHARN/A
BindingDB50281430
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
3756D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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