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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

NameCHEMBL3561230
Molecular formulaC20H21FN2O4S
IUPAC name(E)-3-(4-fluorophenyl)-1-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
Molecular weight404.456
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.5
SynonymsSCHEMBL16599307
SCHEMBL16599310
MLS-0472450.0001
Inchi KeyVFTTWEJHSWQPHJ-JXMROGBWSA-N
Inchi IDInChI=1S/C20H21FN2O4S/c1-27-18-3-2-4-19(15-18)28(25,26)23-13-11-22(12-14-23)20(24)10-7-16-5-8-17(21)9-6-16/h2-10,15H,11-14H2,1H3/b10-7+
PubChem CID71295910
ChEMBLCHEMBL3561230
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
506675G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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