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 : 7OZ7 Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, L84
Protein : human-DPP8
References (1)
| Title : Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9 - Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498 |
| Author(s) : Carvalho LAR , Ross B , Fehr L , Bolgi O , Wohrle S , Lum KM , Podlesainski D , Vieira AC , Kiefersauer R , Felix R , Rodrigues T , Lucas SD , Gross O , Geiss-Friedlander R , Cravatt BF , Huber R , Kaiser M , Moreira R |
| Ref : Angew Chem Int Ed Engl , : , 2022 |
| Abstract : Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498 |
| ESTHER : Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498 |
| PubMedSearch : Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498 |
| PubMedID: 36089535 |
| Gene_locus related to this paper: human-DPP8 , human-DPP9 |