Fragment-900
Not inhibitor of Notum. Compound 52 Fragment 900 IC50 >1000 microM
General
Type : Fragment inhibitor of Notum
Chemical_Nomenclature : 2-phenylmethoxyacetic acid
Canonical SMILES : C1=CC=C(C=C1)COCC(=O)O
InChI : InChI=1S\/C9H10O3\/c10-9(11)7-12-6-8-4-2-1-3-5-8\/h1-5H,6-7H2,(H,10,11)
InChIKey : GRZHHTYDZVRPIC-UHFFFAOYSA-N
Other name(s) : Fragment 900 || Compound 52 || O1J || Benzyloxyacetic acid || 2-(benzyloxy)acetic acid || (benzyloxy)acetic acid || acetic acid, (phenylmethoxy)- || SCHEMBL231282 || CHEMBL3247413 || CHEBI:180539 || ZINC396091
MW : 166.17
Formula : C9H10O3
CAS_number : 30379-55-6
PubChem : 290301
UniChem : GRZHHTYDZVRPIC-UHFFFAOYSA-N
Target
Families : Fragment-900 ligand of proteins in family
Pectinacetylesterase-Notum
Structure :
7BDA
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 |