A1BYM-9NIX
General
Type : Indole, Isoindole, NON-POLYMER
Chemical_Nomenclature : (3~{a}~{S},7~{a}~{R})-1,3,3~{a},4,5,6,7,7~{a}-octahydroisoindole-2-carbaldehyde
Canonical SMILES : C1CC[C@H]2CN(C[C@H]2C1)C=O
InChI : InChI=1S\/C9H15NO\/c11-7-10-5-8-3-1-2-4-9(8)6-10\/h7-9H,1-6H2\/t8-,9+
InChIKey : ZBUZLQFBJLHZJJ-DTORHVGOSA-N
Other name(s) : Carbamoyl Fluoride compound 21 (reacted) || (3aR,7aS)-octahydro-2H-isoindole-2-carbaldehyde || octahydro-2H-isoindole-2-carbonyl fluoride, reacted || SCHEMBL28242316 || 1,3,3a,4,5,6,7,7a-Octahydroisoindole-2-carbaldehyde || Compound 21
MW : 153.221
Formula : C9H15NO
CAS_number :
PubChem : 131099716
UniChem : ZBUZLQFBJLHZJJ-DTORHVGOSA-N
Target
Families : A1BYM-9NIX ligand of proteins in family
CarbLipBact_1
Structure :
9NIX
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 |