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Inhibitor Report for: beta-lactam-B142-closed

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


General
Type Piperazine, beta-Lactam, Benzoate
Chemical_Nomenclature
Canonical SMILES C1(=CC=C(C=C1)CN2CCN(CC2)C(C3=CC(=CC(=C3)C(=O)OC)N4C(C(C4=O)(CC)CC)=O)=O)Br
InChI InChI=1S/C27H30BrN3O5.C2H6/c1-4-27(5-2)25(34)31(26(27)35)22-15-19(14-20(16-22)24(33)36-3)23(32)30-12-10-29(11-13-30)17-18-6-8-21(28)9-7-18;1-2/h6-9,14-16H,4-5,10-13,17H2,1-3H3;1-2H3
InChIKey PKSUIJKMDDGWPM-UHFFFAOYSA-N
Other name(s)
________________________________________________________________________________________________
MW|586.52
Formula|C29H36BrN3O5
CAS_number|
PubChem|156022734
UniChem|PKSUIJKMDDGWPM-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | beta-lactam-B142-closed 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-closed
    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