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Inhibitor Report for: Fragment-646

Not inhibitor of Notum. Compound 32 Fragment 646 IC50 ca. 1000 microM


General
Type Fragment inhibitor of Notum, Benzodioxo
Chemical_Nomenclature N-(1,3-benzodioxol-5-ylmethyl)-1-[(2R)-oxolan-2-yl]methanamine
Canonical SMILES C1CC(OC1)CNCC2=CC3=C(C=C2)OCO3
InChI InChI=1S/C13H17NO3/c1-2-11(15-5-1)8-14-7-10-3-4-12-13(6-10)17-9-16-12/h3-4,6,11,14H,1-2,5,7-9H2/t11-/m1/s1
InChIKey GSKKKMLEVJZIAD-LLVKDONJSA-N
Other name(s) Fragment 646 ; LO5 ; 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine ; ZINC299710
________________________________________________________________________________________________
MW|235.28
Formula|C13H17NO3
CAS_number|
PubChem|795891
UniChem|GSKKKMLEVJZIAD-LLVKDONJSA-N
IUPHAR|
Wikipedia|

Target
Families | Fragment-646 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7BAC: Structure of the human Wnt deacylase Notum in complex with fragment 646
Protein | human-NOTUM

References:
Search PubMed for references concerning: Fragment-646
    Title: Structural Analysis and Development of Notum Fragment Screening Hits
    Zhao Y, Mahy W, Willis NJ, Woodward HL, Steadman D, Bayle ED, Atkinson BN, Sipthorp J, Vecchia L and Jones EY <11 more author(s)>
    Ref: ACS Chem Neurosci, 13:2060, 2022 : PubMed