Inhibitor

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Inhibitor Report for: beta-lactam-B142

In the structure the beta-lactam ring is described as open


General
Type Piperazine, beta-Lactam, Benzoate
Chemical_Nomenclature methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate
Canonical SMILES CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)N2CCN(CC2)Cc3ccc(cc3)Br
InChI InChI=1S/C27H32BrN3O5/c1-4-27(5-2,18-32)26(35)29-23-15-20(14-21(16-23)25(34)36-3)24(33)31-12-10-30(11-13-31)17-19-6-8-22(28)9-7-19/h6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,29,35)
InChIKey DFOATAYHEDCOCM-UHFFFAOYSA-N
Other name(s) 2YI
________________________________________________________________________________________________
MW|558.46
Formula|C27H32BrN3O5
CAS_number|
PubChem|156022734
UniChem|DFOATAYHEDCOCM-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | beta-lactam-B142 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture | 1 structure: 7OR4: Crystal structure of DPP8 in complex with a b-lactam based inhibitor, B142
Protein | human-DPP8

References:
Search PubMed for references concerning: beta-lactam-B142
    Title: Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9
    Carvalho LAR, Ross B, Fehr L, Bolgi O, Wohrle S, Lum KM, Podlesainski D, Vieira AC, Kiefersauer R and Moreira R <8 more author(s)>
    Ref: Angew Chem Int Ed Engl, :, 2022 : PubMed