Fragment-955
Not inhibitor of Notum. Compound 58 Fragment 955 IC50 390+/-53 microM
General
Type : Fragment inhibitor of Notum,Sulfur Compound,Thiadiazol
Chemical_Nomenclature : N-(2,1,3-benzothiadiazol-5-yl)acetamide
Canonical SMILES : CC(=O)NC1=CC2=NSN=C2C=C1
InChI : InChI=1S\/C8H7N3OS\/c1-5(12)9-6-2-3-7-8(4-6)11-13-10-7\/h2-4H,1H3,(H,9,12)
InChIKey : DCJCIZAANYCYFG-UHFFFAOYSA-N
Other name(s) : Fragment 955,Compound 58,TEZ,N-Benzo[1,2,5]thiadiazol-5-yl-acetamide,Acetamide, N-2,1,3-benzothiadiazol-5-yl-,MLS001029743,CHEMBL1308822,ZINC258308
MW : 193.23
Formula : C8H7N3OS
CAS_number : 21110-91-8
PubChem : 591904
UniChem : DCJCIZAANYCYFG-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-955 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7BDH Structure of the human Wnt deacylase Notum in complex with fragment 955
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 |