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Inhibitor Report for: ARUK3003910

General
Type Indole, Oxobutanoate
Chemical_Nomenclature 2,2 difluoroethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
Canonical SMILES C1=CC=C2C(=C1)CCN2C(CCC(OCC(F)F)=O)=O
InChI InChI=1S/C14H15F2NO3/c15-12(16)9-20-14(19)6-5-13(18)17-8-7-10-3-1-2-4-11(10)17/h1-4,12H,5-9H2
InChIKey ZBGADGOMZKMKIY-UHFFFAOYSA-N
Other name(s) 7B2Y-compound-4 ; SRQ
________________________________________________________________________________________________
MW|283.27
Formula|C14H15F2NO3
CAS_number|
PubChem|
UniChem|ZBGADGOMZKMKIY-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | ARUK3003910 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7B2Y: Notum in complex with ARUK3003910 compound 4; 2,2 difluoroethyl-
Protein | human-NOTUM

References:
Search PubMed for references concerning: ARUK3003910
    Title: Structural Insights into Notum Covalent Inhibition
    Zhao Y, Svensson F, Steadman D, Frew S, Monaghan A, Bictash M, Moreira T, Chalk R, Lu W and Jones EY <1 more author(s)>
    Ref: Journal of Medicinal Chemistry, 64:11354, 2021 : PubMed