Fragment-063-notum-screen
Not inhibitor of Notum IC50 140+/-31 microM
General
Type : Urea derivative,Fragment inhibitor of Notum,Benzoxadiazole
Chemical_Nomenclature : N-(2,1,3-benzoxadiazol-4-yl)acetamide
Canonical SMILES : CC(=O)NC1=CC=CC2=NON=C21
InChI : InChI=1S\/C8H7N3O2\/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7\/h2-4H,1H3,(H,9,12)
InChIKey : JJHRQXVBTBBRGJ-UHFFFAOYSA-N
Other name(s) : WKA,N-(2,1,3-Benzoxadiazol-4-yl)acetamide,4-Acetamidobenzofurazan,Acetamide, N-2,1,3-benzoxadiazol-4-yl-,N-(Benzofurazane-4-yl)acetamide,ZINC291833
MW : 177.16
Formula : C8H7N3O2
CAS_number :
PubChem : 585399
UniChem : JJHRQXVBTBBRGJ-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-063-notum-screen ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7B7X Structure of the human Wnt deacylase Notum in complex with fragment 063
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 : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| ESTHER : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedSearch : Zhao_2022_ACS.Chem.Neurosci_13_2060 |
| PubMedID: 35731924 |
| Gene_locus related to this paper: human-NOTUM |