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
MW : 233.26
Formula : C13H15NO3
CAS_number :
PubChem : 667795
UniChem : AYMVNVWATJUROX-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : ARUK3002704 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7ARG Human Notum in complex with ARUK3002704 compound 1 Methyl-
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 |