Fragment-609
Not inhibitor of Notum. Compound 30 Fragment 609 IC50 >1000 microM
General
Type : Fragment inhibitor of Notum, Thiomorpholine
Chemical_Nomenclature : 4-(furan-2-ylmethyl)-1,4-thiazinane 1,1-dioxide
Canonical SMILES : C1CS(=O)(=O)CCN1CC2=CC=CO2
InChI : InChI=1S\/C9H13NO3S\/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9\/h1-2,5H,3-4,6-8H2
InChIKey : AEOGPIJVSQTAII-UHFFFAOYSA-N
Other name(s) : Fragment 609 || Compound 30 || O3D || 4-(furan-2-ylmethyl)-1,4-thiazinane 1,1-dioxide || 4-(2-Furylmethyl)-1lambda6,4-thiazinane-1,1-dione || 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione || Maybridge1_003293 || Oprea1_696778 || SCHEMBL10256874 || ZINC19851827
MW : 215.27
Formula : C9H13NO3S
CAS_number : 79206-94-3
PubChem : 318460
UniChem : AEOGPIJVSQTAII-UHFFFAOYSA-N
Target
Families : Fragment-609 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B9U
Protein :
human-NOTUM
References (1)
| Title : Structural Analysis and Development of Notum Fragment Screening Hits - Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| Author(s) : Zhao Y , Mahy W , Willis NJ , Woodward HL , Steadman D , Bayle ED , Atkinson BN , Sipthorp J , Vecchia L , Ruza RR , Harlos K , Jeganathan F , Constantinou S , Costa A , Kjaer S , Bictash M , Salinas PC , Whiting P , Vincent JP , Fish PV , Jones EY |
| Ref : ACS Chem Neurosci , 13 :2060 , 2022 |
| Abstract : |
| PubMedSearch : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedID: 35731924 |
| Gene_locus related to this paper: human-NOTUM |