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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

NameCHEMBL3560763
Molecular formulaC19H18ClFN2O3S
IUPAC name(E)-1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
Molecular weight408.872
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.2
SynonymsSCHEMBL16599070
AKOS008520326
MLS-0472448.0001
SCHEMBL16599068
Inchi KeyAVVCGMNDLJSEIR-RMKNXTFCSA-N
Inchi IDInChI=1S/C19H18ClFN2O3S/c20-16-2-1-3-18(14-16)27(25,26)23-12-10-22(11-13-23)19(24)9-6-15-4-7-17(21)8-5-15/h1-9,14H,10-13H2/b9-6+
PubChem CID26204807
ChEMBLCHEMBL3560763
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
464798G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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