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Inhibitor Report for: Fragment-197

Name Class
Fragment-197TypeFragment inhibitor of Notum
Pyridine
Benzoate
Other_Name (10)
Chemical_Nomenclature5-amino-2-(pyridin-3-ylmethylamino)benzoic acid
FormulaC13H13N3O2
CAS_number425662-35-7
MW243.26
PaperZhao_2022_ACS.Chem.Neurosci_13_2060
Structure7B8N
CommentNot inhibitor of Notum. Compound 18 Fragment 197 IC50 63+/-12 microM
Gene_locushuman-NOTUM
CID808768
FamilyPectinacetylesterase-Notum
InChIKeyQEGXPJYAQLFLGN-UHFFFAOYSA-N
CanonicalSMILESC1=CC(=CN=C1)CNC2=C(C=C(C=C2)N)C(=O)O
InChIInChI=1S/C13H13N3O2/c14-10-3-4-12(11(6-10)13(17)18)16-8-9-2-1-5-15-7-9/h1-7,16H,8,14H2,(H,17,18)

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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