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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

NameCHEMBL3560274
Molecular formulaC20H20BrFN2O
IUPAC name(E)-3-(4-bromophenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
Molecular weight403.295
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.9
SynonymsSCHEMBL16598417
SCHEMBL16598419
MLS-0472542.0001
Inchi KeyUWFAKGRIJXHOQS-JXMROGBWSA-N
Inchi IDInChI=1S/C20H20BrFN2O/c21-18-8-5-16(6-9-18)7-10-20(25)24-13-11-23(12-14-24)15-17-3-1-2-4-19(17)22/h1-10H,11-15H2/b10-7+
PubChem CID73330416
ChEMBLCHEMBL3560274
IUPHARN/A
BindingDBN/A
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
505839G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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