Inhibitor Report for: 3TP General
Type Pyrrolidine , Sulfur Compound , Oxadiazol , Sulfonyl Chemical_Nomenclature (2S,3S)-2-amino-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrol-1-ylbutan-1-one Canonical SMILES CC(C1=NC(=NO1)C2=CC=C(C=C2)S(=O)(=O)C)C(C(=O)N3C=CC=C3)N InChI InChI=1S/C17H18N4O4S/c1-11(14(18)17(22)21-9-3-4-10-21)16-19-15(20-25-16)12-5-7-13(8-6-12)26(2,23)24/h3-11,14H,18H2,1-2H3/t11-,14-/m0/s1 InChIKey SQCDMTZMCHZYGO-FZMZJTMJSA-N ZMCPWXMPQCSCIF-FZMZJTMJSA-N Other name(s) (2s,3s)-3-{3-[4-(Methylsulfonyl)phenyl]-1,2,4- Oxadiazol-5-Yl}-1-Oxo-1-Pyrrolidin-1-Ylbutan-2-Amine ; oxadiazole inhibitor ; DB07067 ; CHEBI:39955 ; (2S,3S)-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-oxo-1-pyrrolidin-1-ylbutan-2-amine ; (2S,3S)-2-amino-3-[3-(4-methanesulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-(pyrrolidin-1-yl)butan-1-one ; CHEMBL374936 ; Alpha-amino acid pyrrolidide 20 ; BDBM11658
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Target
Families | 3TP ligand of proteins in family: DPP4N_Peptidase_S9 Stucture | 1 structure : 2HHA : The structure of DPP4 in complex with an oxadiazole inhibitor Protein | human-DPP4
References:
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3TP
Title: Discovery of potent, selective, and orally bioavailable oxadiazole-based dipeptidyl peptidase IV inhibitors
Xu J , Wei L , Mathvink RJ , Edmondson SD , Eiermann GJ , He H , Leone JF , Leiting B , Lyons KA and Weber AE <7 more author(s)>
Xu J , Wei L , Mathvink RJ , Edmondson SD , Eiermann GJ , He H , Leone JF , Leiting B , Lyons KA , Marsilio F , Patel RA , Patel SB , Petrov A , Scapin G , Wu JK , Thornberry NA , Weber AE (- 7)
Ref: Bioorganic & Medicinal Chemistry Lett, 16 :5373, 2006 : PubMed Abstract