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Inhibitor Report for: 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
IUPHAR|
Wikipedia|

Target
Families | AA74-1 ligand of proteins in family: ACPH_Peptidase_S9
Protein | human-APEH

References:
Search PubMed for references concerning: AA74-1
    Title: Click-generated triazole ureas as ultrapotent in vivo-active serine hydrolase inhibitors
    Adibekian A, Martin BR, Wang C, Hsu KL, Bachovchin DA, Niessen S, Hoover H, Cravatt BF
    Ref: Nat Chemical Biology, 7:469, 2011 : PubMed