Inhibitor Report for: Flouroolefin-2 General
Type Sulfur Compound , Cyclopropyl , Oxadiazol , Sulfonyl Chemical_Nomenclature (2S,3S)-3-[3-(2-chloro-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylidene-4-cycloprop-2-en-1-yl-1-fluorobutan-2-amine Canonical SMILES CS(=O)(=O)C1=CC(=C(C=C1)C2=NOC(=N2)C(CC3C=C3)C(C(=C4CCCC4)F)N)Cl InChI InChI=1S/C21H23ClFN3O3S/c1-30(27,28)14-8-9-15(17(22)11-14)20-25-21(29-26-20)16(10-12-6-7-12)19(24)18(23)13-4-2-3-5-13/h6-9,11-12,16,19H,2-5,10,24H2,1H3/t16-,19-/m0/s1 InChIKey KAFTWRNSMBZRAP-LPHOPBHVSA-N XCCSSVMRGIQMGF-LPHOPBHVSA-N Other name(s) 317 ; CHEMBL402163 ; CHEMBL1185242 ; BDBM50374938 ; DB06994 ; (2S,3S)-3-[3-(2-chloro-4-methanesulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(1Z)-cyclopentylidene]-4-cyclopropyl-1-fluorobutan-2-amine
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Target
Families | Flouroolefin-2 ligand of proteins in family: DPP4N_Peptidase_S9 Stucture | 1 structure : 3C45 : Human dipeptidyl peptidase IV/CD26 in complex with a flouroolefin inhibitor 2 Protein | human-DPP4
References:
Title: Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors
Edmondson 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