ARUK3002704
General
Type : Indole, Oxobutanoate
Chemical_Nomenclature : methyl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate
Canonical SMILES : COC(=O)CCC(=O)N1CCC2=CC=CC=C21
InChI : InChI=1S\/C13H15NO3\/c1-17-13(16)7-6-12(15)14-9-8-10-4-2-3-5-11(10)14\/h2-5H,6-9H2,1H3
InChIKey : AYMVNVWATJUROX-UHFFFAOYSA-N
Other name(s) : methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate || 314284-83-8 || methyl 4-(indolin-1-yl)-4-oxobutanoate || F1443-5424 || ChemDiv2_000501 || Compound1 || SCHEMBL2280011 || ZINC27609 || RW8 || 7ARG-compound-1
Target
Families : ARUK3002704 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7ARG
Protein :
human-NOTUM
References (1)
| Title : Structural Insights into Notum Covalent Inhibition - Zhao_2021_J.Med.Chem_64_11354 |
| Author(s) : Zhao Y , Svensson F , Steadman D , Frew S , Monaghan A , Bictash M , Moreira T , Chalk R , Lu W , Fish PV , Jones EY |
| Ref : Journal of Medicinal Chemistry , 64 :11354 , 2021 |
| Abstract : |
| PubMedSearch : Zhao_2021_J.Med.Chem_64_11354 |
| PubMedID: 34292747 |
| Gene_locus related to this paper: human-NOTUM |