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Ligand

NameCHEMBL3561444
Molecular formulaC21H23BrN2O4S
IUPAC name(E)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-ethoxyphenyl)prop-2-en-1-one
Molecular weight479.389
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.5
SynonymsSCHEMBL16598468
SBI-0646750.0001
SCHEMBL16598465
Inchi KeyWFAJXYUGEDUPHA-LFYBBSHMSA-N
Inchi IDInChI=1S/C21H23BrN2O4S/c1-2-28-19-8-3-17(4-9-19)5-12-21(25)23-13-15-24(16-14-23)29(26,27)20-10-6-18(22)7-11-20/h3-12H,2,13-16H2,1H3/b12-5+
PubChem CID26867530
ChEMBLCHEMBL3561444
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
508853G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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