Fragment-173
Not inhibitor of Notum. Compound 15 Fragment 173 IC50 17+/-0.9 microM
General
Type : Fragment inhibitor of Notum,Benzimidazole,Cyanide
Chemical_Nomenclature : 1H-benzimidazol-2-ylcyanamide
Canonical SMILES : C1=CC=C2C(=C1)NC(=N2)NC#N
InChI : InChI=1S\/C8H6N4\/c9-5-10-8-11-6-3-1-2-4-7(6)12-8\/h1-4H,(H2,10,11,12)
InChIKey : NYLIXUBOFQIMGV-UHFFFAOYSA-N
Other name(s) : Fragment 173,Compound 15,AXV,1H-benzimidazol-2-ylcyanamide,Cyanamide, 1H-benzimidazol-2-yl-,Cyanamide, 1H-benzimidazol-2-yl- (9CI),Oprea1_539841,SCHEMBL9247170,ZINC394716
MW : 158.16
Formula : C8H6N4
CAS_number : 55864-37-4 || 104145-05-3
PubChem : 96685
UniChem : NYLIXUBOFQIMGV-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Fragment-173 ligand of proteins in family: Pectinacetylesterase-Notum
Stucture : 7B8K Structure of the human Wnt deacylase Notum in complex with fragment 173
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 |