Fragment-588
Not inhibitor of Notum. Compound 29 Fragment 588
General
Type : Fragment inhibitor of Notum, Benzyloxycarbonyl, Carbamate
Chemical_Nomenclature : benzyl N-hydroxycarbamate
Canonical SMILES : C1=CC=C(C=C1)COC(=O)NO
InChI : InChI=1S\/C8H9NO3\/c10-8(9-11)12-6-7-4-2-1-3-5-7\/h1-5,11H,6H2,(H,9,10)
InChIKey : PQBSPTAPCMSZAA-UHFFFAOYSA-N
Other name(s) : Fragment 588 || Compound 29 || N9J || Benzyl hydroxycarbamate || N-Cbz-hydroxylamine || Benzylhydroxycarbamate || CHEMBL1086896 || SCHEMBL1950181 || ZINC389485
MW : 167.16
Formula : C8H9NO3
CAS_number : 3426-71-9
PubChem : 18907
UniChem : PQBSPTAPCMSZAA-UHFFFAOYSA-N
Target
Families : Fragment-588 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7B9N
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 |