Inhibitor Report for: Flouroolefin-1 General
Type Sulfur Compound , Pyrrolidine , Cyclopropyl , Oxadiazol Chemical_Nomenclature [(2S,3S)-4-cyclopropyl-3-[3-(2-fluoro-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-yl]azanium Canonical SMILES CS(=O)(=O)C1=CC(=C(C=C1)C2=NOC(=N2)C(CC3CC3)C(C(=O)N4CCC(C4)F)[NH3+])F InChI InChI=1S/C20H24F2N4O4S/c1-31(28,29)13-4-5-14(16(22)9-13)18-24-19(30-25-18)15(8-11-2-3-11)17(23)20(27)26-7-6-12(21)10-26/h4-5,9,11-12,15,17H,2-3,6-8,10,23H2,1H3/p+1/t12-,15-,17-/m0/s1 InChIKey FSNIVKZQDIWUIY-NUTKFTJISA-O FSNIVKZQDIWUIY-NUTKFTJISA-N Other name(s) Alpha-amino acid pyrrolidide 43 ; BDBM11681 ; 3c43 ; SCHEMBL2893606 ; CHEMBL1198584 ; (2S,3S)-4-cyclopropyl-3-[3-(2-fluoro-4-methanesulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
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Target
Families | Flouroolefin-1 ligand of proteins in family: DPP4N_Peptidase_S9 Stucture | 1 structure : 3C43 : Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor 1 Protein | human-DPP4
References:
Title: Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitorsEdmondson SD , Wei L , Xu J , Shang J , Xu S , Pang J , Chaudhary A , Dean DC , He H and Weber AE <8 more author(s)> Edmondson SD , Wei L , Xu J , Shang J , Xu S , Pang J , Chaudhary A , Dean DC , He H , Leiting B , Lyons KA , Patel RA , Patel SB , Scapin G , Wu JK , Beconi MG , Thornberry NA , Weber AE (- 8) Ref: Bioorganic & Medicinal Chemistry Lett, 18 :2409, 2008 : PubMed Abstract
