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Inhibitor Report for: Fragment-830

Not inhibitor of Notum. Compound 48 Fragment 830 IC50 >1000 microM


General
Type Fragment inhibitor of Notum
Chemical_Nomenclature 2-(4-ethoxyphenyl)acetic acid
Canonical SMILES CCOC1=CC=C(C=C1)CC(=O)O
InChI InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChIKey ZVVWZNFSMIFGEP-UHFFFAOYSA-N
Other name(s) YI6 ; Fragment 830 ; Compound 48 ; 2-(4-ethoxyphenyl)acetic acid ; Benzeneacetic acid, 4-ethoxy- ; (4-ethoxyphenyl)acetic acid ; SCHEMBL503308
________________________________________________________________________________________________
MW|180.20
Formula|C10H12O3
CAS_number|4919-33-9
PubChem|78631
UniChem|ZVVWZNFSMIFGEP-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | Fragment-830 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7BD5: Structure of the human Wnt deacylase Notum in complex with fragment 830
Protein | human-NOTUM

References:
Search PubMed for references concerning: Fragment-830
    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