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Ligand

NameCHEMBL3561084
Molecular formulaC20H21BrN2O4S
IUPAC name(E)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Molecular weight465.362
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.1
SynonymsSCHEMBL16599051
SCHEMBL16599053
SBI-0646687.0001
Inchi KeyKCNYRABYZZCNEQ-NYYWCZLTSA-N
Inchi IDInChI=1S/C20H21BrN2O4S/c1-27-18-7-2-16(3-8-18)4-11-20(24)22-12-14-23(15-13-22)28(25,26)19-9-5-17(21)6-10-19/h2-11H,12-15H2,1H3/b11-4+
PubChem CID26867544
ChEMBLCHEMBL3561084
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
483395G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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