Fragment-199
Not inhibitor of Notum. Compound 19 Fragment 199 IC50 750+/-17 microM
General
Type : Fragment inhibitor of Notum,Morpholine
Chemical_Nomenclature : [(2S)-2-methylpiperidin-1-yl]-morpholin-4-ylmethanone
Canonical SMILES : CC1CCCCN1C(=O)N2CCOCC2
InChI : InChI=1S\/C11H20N2O2\/c1-10-4-2-3-5-13(10)11(14)12-6-8-15-9-7-12\/h10H,2-9H2,1H3\/t10-\/m0\/s1
InChIKey : FLEIZTSEYWQEHP-JTQLQIEISA-N
Other name(s) : Fragment 199,Compound 19,T1W,ZINC30267
MW : 212.29
Formula : C11H20N2O2
CAS_number :
PubChem : 669647
UniChem : FLEIZTSEYWQEHP-JTQLQIEISA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-199 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7B8O Structure of the human Wnt deacylase Notum in complex with fragment 199
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 |