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 : 7B2Z Human Notum in complex with ARUK3003907 compound 6\; iso-propanol
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 |