4-Oxo-beta-Lactam-B114-closed
In the structure the beta-lactam ring is described as open
General
Type : Piperazine,Carboxamide,beta-Lactam
Chemical_Nomenclature :
Canonical SMILES : C1(=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC(=C3)N4C(C(C4=O)(CC)CC)=O)=O)Br
InChI : InChI=1S\/C25H28BrN3O3\/c1-3-25(4-2)23(31)29(24(25)32)21-7-5-6-19(16-21)22(30)28-14-12-27(13-15-28)17-18-8-10-20(26)11-9-18\/h5-11,16H,3-4,12-15,17H2,1-2H3
InChIKey : UVDPDHSYTGZHHB-UHFFFAOYSA-N
Other name(s) :
MW : 498.41
Formula : C25H28BrN3O3
CAS_number :
PubChem : 156022760
UniChem : UVDPDHSYTGZHHB-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : 4-Oxo-beta-Lactam-B114-closed ligand of proteins in family: DPP4N_Peptidase_S9
Stucture : 7AYQ Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B114 (replaces 6T6T withdrawn)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 |