4-Oxo-beta-Lactam-B115-closed
In the structure the beta-lactam ring is described as open
General
Type : Piperazine,beta-Lactam
Chemical_Nomenclature :
Canonical SMILES : C1(=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC(=C3)N4C(C5(C4=O)CCOCC5)=O)Br
InChI : InChI=1S\/C25H28BrN3O3\/c26-21-6-4-19(5-7-21)17-27-10-12-28(13-11-27)18-20-2-1-3-22(16-20)29-23(30)25(24(29)31)8-14-32-15-9-25\/h1-7,16H,8-15,17-18H2
InChIKey : VGNIXQKTNHOFLV-UHFFFAOYSA-N
Other name(s) :
MW : 498.41
Formula : C25H28BrN3O3
CAS_number :
PubChem :
UniChem : VGNIXQKTNHOFLV-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : 4-Oxo-beta-Lactam-B115-closed ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 7AYR Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B115 (replaces 6T6U withdrawn)
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 |