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 : 7B2Y Human Notum in complex with ARUK3003910 compound 4\; 2,2 difluoroethyl-
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 : Zhao_2021_J.Med.Chem_64_11354 |
| ESTHER : Zhao_2021_J.Med.Chem_64_11354 |
| PubMedSearch : Zhao_2021_J.Med.Chem_64_11354 |
| PubMedID: 34292747 |
| Gene_locus related to this paper: human-NOTUM |