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Ligand

NameAC1MBC9K
Molecular formulaC21H21FN2O3S
IUPAC name(E)-3-(4-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one
Molecular weight400.468
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.0
SynonymsHMS2653P24
(E)-3-(4-fluorophenyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one
MLS000760744
MLS-0258589.0001
SMR000370843
[ Show all ]
Inchi KeyQNZBNOFPZQVELT-OENGIGCFSA-N
Inchi IDInChI=1S/C21H21FN2O3S/c22-20-9-6-19(7-10-20)8-11-21(25)23-13-15-24(16-14-23)28(26,27)17-12-18-4-2-1-3-5-18/h1-12,17H,13-16H2/b11-8+,17-12+
PubChem CID2674674
ChEMBLCHEMBL1580410
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
497942G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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