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Ligand

NameMLS000536709
Molecular formulaC14H13NO2
IUPAC name(E)-3-(3-methoxyphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
Molecular weight227.263
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP2.8
SynonymsAC1NYMBK
SMR000155577
ST45102077
HMS2386D21
(E)-3-(3-methoxyphenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
[ Show all ]
Inchi KeyAFIWQAOOUPKHRP-BQYQJAHWSA-N
Inchi IDInChI=1S/C14H13NO2/c1-17-12-5-2-4-11(10-12)7-8-14(16)13-6-3-9-15-13/h2-10,15H,1H3/b8-7+
PubChem CID5859537
ChEMBLCHEMBL1586994
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
463400Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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