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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

NameCHEMBL2397355
Molecular formulaC15H23N3O
IUPAC name2,2-dimethyl-1-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]propan-1-one
Molecular weight261.369
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.4
SynonymsBDBM50436510
Inchi KeyBWOXDQJBQFTVDH-GFCCVEGCSA-N
Inchi IDInChI=1S/C15H23N3O/c1-12-11-17(14(19)15(2,3)4)9-10-18(12)13-7-5-6-8-16-13/h5-8,12H,9-11H2,1-4H3/t12-/m1/s1
PubChem CID71682492
ChEMBLCHEMBL2397355
IUPHARN/A
BindingDB50436510
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
34615Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194

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