AA74-1
AA74-1 (compound 23), completely inhibited APEH at 10 nM, while not interacting with other SHs at 100 nM.
General
Type : Triazol, Pyrrolidine
Chemical_Nomenclature : [4-(4-hydroxy-2,6-dimethylheptan-4-yl)triazol-2-yl]-pyrrolidin-1-ylmethanone
Canonical SMILES : CC(C)CC(CC(C)C)(C1=NN(N=C1)C(=O)N2CCCC2)O
InChI : InChI=1S\/C16H28N4O2\/c1-12(2)9-16(22,10-13(3)4)14-11-17-20(18-14)15(21)19-7-5-6-8-19\/h11-13,22H,5-10H2,1-4H3
InChIKey : GXBVPGCIMCIASQ-UHFFFAOYSA-N
Other name(s) : (4-(4-Hydroxy-2,6-dimethylheptan-4-yl)-2H-1,2,3-triazol-2-yl)(pyrrolidin-1-yl)methanone || ZINC95099955 || SR-02000001001
MW : 308.42
Formula : C16H28N4O2
CAS_number :
PubChem : 56593031
UniChem : GXBVPGCIMCIASQ-UHFFFAOYSA-N
Target
Families : AA74-1 ligand of proteins in family
ACPH_Peptidase_S9
Protein :
human-APEH
References (2)
| Title : Prodrug activation in malaria parasites mediated by an imported erythrocyte esterase, acylpeptide hydrolase (APEH) - Sundararaman_2024_bioRxiv__ |
| Author(s) : Sundararaman SA , Miller JJ , Daley EC , O'Brien KA , Kasak P , Daniels AM , Edwards RL , Heidel KM , Bague DA , Wilson MA , Koelper AJ , Kourtoglou EC , White AD , August SA , Apple GA , Rouamba RW , Durand AJ , Esteb JJ , Muller FL , Johnson RJ , Hoops GC , Dowd CS , Odom John AR |
| Ref : Biorxiv , : , 2024 |
| Abstract : |
| PubMedSearch : Sundararaman_2024_bioRxiv__ |
| PubMedID: 39257815 |
| Gene_locus related to this paper: human-APEH |
| Title : Click-generated triazole ureas as ultrapotent in vivo-active serine hydrolase inhibitors - Adibekian_2011_Nat.Chem.Biol_7_469 |
| Author(s) : Adibekian A , Martin BR , Wang C , Hsu KL , Bachovchin DA , Niessen S , Hoover H , Cravatt BF |
| Ref : Nat Chemical Biology , 7 :469 , 2011 |
| Abstract : |
| PubMedSearch : Adibekian_2011_Nat.Chem.Biol_7_469 |
| PubMedID: 21572424 |