Fragment-159
Not inhibitor of Notum. Compound 13 Fragment 159 IC50 280+/-110 microM
General
Type : Fragment inhibitor of Notum
Chemical_Nomenclature : 2-phenylmethoxyaniline
Canonical SMILES : C1=CC=C(C=C1)COC2=CC=CC=C2N
InChI : InChI=1S\/C13H13NO\/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11\/h1-9H,10,14H2
InChIKey : PLPVLSBYYOWFKM-UHFFFAOYSA-N
Other name(s) : Fragment 159,Fragment-159,Compound 13,MJW,2-Benzyloxyaniline,2-(benzyloxy)aniline,Benzenamine, 2-(phenylmethoxy)-,SCHEMBL292275,ZINC406930
MW : 199.25
Formula : C13H13NO
CAS_number : 20012-63-9
PubChem : 240548
UniChem : PLPVLSBYYOWFKM-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-159 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7B8G Structure of the human Wnt deacylase Notum in complex with fragment 159
Protein : human-NOTUM
References (1)
| Title : Structural Analysis and Development of Notum Fragment Screening Hits - Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| Author(s) : Zhao Y , Mahy W , Willis NJ , Woodward HL , Steadman D , Bayle ED , Atkinson BN , Sipthorp J , Vecchia L , Ruza RR , Harlos K , Jeganathan F , Constantinou S , Costa A , Kjaer S , Bictash M , Salinas PC , Whiting P , Vincent JP , Fish PV , Jones EY |
| Ref : ACS Chem Neurosci , 13 :2060 , 2022 |
| Abstract : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| ESTHER : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedSearch : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedID: 35731924 |
| Gene_locus related to this paper: human-NOTUM |