ARUK3003718
General
Type : Indole,Oxobutanoate
Chemical_Nomenclature : 4-(2,3-dihydroindol-1-yl)-4-oxobutanoic acid
Canonical SMILES : C1CN(C2=CC=CC=C21)C(=O)CCC(=O)O
InChI : InChI=1S\/C12H13NO3\/c14-11(5-6-12(15)16)13-8-7-9-3-1-2-4-10(9)13\/h1-4H,5-8H2,(H,15,16)
InChIKey : SWNRXQYQTQVWKA-UHFFFAOYSA-N
Other name(s) : 4-(2,3-Dihydro-indol-1-yl)-4-oxo-butyric acid,4-(2,3-dihydroindol-1-yl)-4-oxo-butyric acid,4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoic acid,4-(Indolin-1-yl)-4-oxobutanoic acid,SRK,4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate,7B37-compound-2
MW : 219.24
Formula : C12H13NO3
CAS_number : 105105-00-8
PubChem : 730429
UniChem : SWNRXQYQTQVWKA-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : ARUK3003718 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture :
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 |