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Inhibitor Report for: ARUK3003907

General
Type Indole, Oxobutanoate
Chemical_Nomenclature iso-propanol 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
Canonical SMILES CC(C)OC(=O)CCC(=O)n1ccc2c1cccc2
InChI InChI=1S/C15H17NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3
InChIKey VNSAQZLLFVPFAT-UHFFFAOYSA-N
Other name(s) 7B2Z-compound-6 ; SQW ; propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate
________________________________________________________________________________________________
MW|259.30
Formula|C15H17NO3
CAS_number|
PubChem|
UniChem|VNSAQZLLFVPFAT-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | ARUK3003907 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture | 1 structure: 7B2Z: Notum in complex with ARUK3003907 compound 6; iso-propanol
Protein | human-NOTUM

References:
Search PubMed for references concerning: ARUK3003907
    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