A1BYJ-9NIZ-Cpd18
THis is the inhibitor. A1BYJ-9NIZ is the reactant in the structure with fluoride leaving group gone
General
Chemical_Nomenclature : isoindoline-2-carbonyl fluoride
Canonical SMILES : C1=CC2=C(C=C1)CN(C2)C(=O)F
InChI : InChI=1S\/C9H8FNO\/c10-9(12)11-5-7-3-1-2-4-8(7)6-11\/h1-4H,5-6H2
InChIKey : FKYMPHHWVYTSAX-UHFFFAOYSA-N
Other name(s) : Compound 18 || 2-Isoindolinecarbonyl fluoride
Target
Families : A1BYJ-9NIZ-Cpd18 ligand of proteins in family
CarbLipBact_1
Structure :
9NIZ
Protein :
staau-SAV0457
References (1)
| Title : Carbamoyl fluorides as serine hydrolase inhibitors: a case study on FphI from Staphylococcus aureus - Randall_2026_Bioorg.Chem_176_109834 |
| Author(s) : Randall G , Meden A , Rutledge MT , Prestresi L , Rambaher MH , Chen S , Zdovc I , Gobec S , Knez D , Fellner M |
| Ref : Bioorg Chem , 176 :109834 , 2026 |
| Abstract : |
| PubMedSearch : Randall_2026_Bioorg.Chem_176_109834 |
| PubMedID: 41965188 |
| Gene_locus related to this paper: staau-SAV0457 |