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Inhibitor Report for: beta-lactam-L84

Fehr, L., Carvalho, L.A.R., Ross, B.H., Lum, K., Vieira, A.C., Kiefersauer, R., Geiss-Friedlander, R., Kaiser, M., Rodrigues, T., Lucas, S.D., Cravatt, B.F., Huber, R., Moreira, R. In the structure the beta-lactam ring is described as open


General
Type Piperazine, beta-Lactam
Chemical_Nomenclature ~{N}-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
Canonical SMILES CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2)Cc3ccc(cc3)Br
InChI InChI=1S/C25H32BrN3O2/c1-3-25(4-2,19-30)24(31)27-23-7-5-6-21(16-23)18-29-14-12-28(13-15-29)17-20-8-10-22(26)11-9-20/h5-11,16,19H,3-4,12-15,17-18H2,1-2H3,(H,27,31)
InChIKey LULPAFAMHVUJQY-UHFFFAOYSA-N
Other name(s) MQ2
________________________________________________________________________________________________
MW|486.44
Formula|C25H32BrN3O2
CAS_number|
PubChem|156022748
UniChem|LULPAFAMHVUJQY-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | beta-lactam-L84 ligand of proteins in family: DPP4N_Peptidase_S9
Stucture | 1 structure: 7OZ7: Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, L84
Protein | human-DPP8

References:
Search PubMed for references concerning: beta-lactam-L84
    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