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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

NameAC1PI39M
Molecular formulaC17H17FN2O3S2
IUPAC name(E)-3-(4-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one
Molecular weight380.452
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.5
Synonyms(E)-3-(4-fluorophenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)prop-2-en-1-one
CHEMBL3560506
SCHEMBL16599356
MLS-0472475.0001
SCHEMBL16599355
Inchi KeyHPVITGQPASWXNP-VMPITWQZSA-N
Inchi IDInChI=1S/C17H17FN2O3S2/c18-15-6-3-14(4-7-15)5-8-16(21)19-9-11-20(12-10-19)25(22,23)17-2-1-13-24-17/h1-8,13H,9-12H2/b8-5+
PubChem CID8924480
ChEMBLCHEMBL3560506
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
477824G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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