KT130
Covalent inhibitor. (the acyl bound compound is 2-phenylpiperidine-1-carboxylic-acid 6WG) KT129 inhibits FphF at 1 microM by 90% and KT130 at 1 microM by 35%
General
Type : Triazol,Urea derivative
Chemical_Nomenclature :
Canonical SMILES : C1CC(CCC1)(C2=N[N](N=C2)C(N3CCCCC3C4=CC=CC=C4)=O)O
InChI : InChI=1S\/C20H26N4O2\/c25-19(23-14-8-5-11-17(23)16-9-3-1-4-10-16)24-21-15-18(22-24)20(26)12-6-2-7-13-20\/h1,3-4,9-10,15,17,26H,2,5-8,11-14H2
InChIKey : CXVBEWTVNMBMJN-UHFFFAOYSA-N
Other name(s) : Compound 4b
MW : 354.45
Formula : C20H26N4O2
CAS_number :
PubChem :
UniChem : CXVBEWTVNMBMJN-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : KT130 ligand of proteins in family: A85-EsteraseD-FGH
Stucture : 6VHE Staphylococcus aureus FphF bound to KT130
Protein : staau-SA2422
References (2)
| Title : Structural basis for the inhibitor and substrate specificity of the unique Fph serine hydrolases of Staphylococcus aureus - Fellner_2020_ACS.Infect.Dis_6_2771 |
| Author(s) : Fellner M , Lentz CS , Jamieson SA , Brewster JL , Chen L , Bogyo M , Mace PD |
| Ref : ACS Infect Dis , 6 :2771 , 2020 |
| Abstract : Fellner_2020_ACS.Infect.Dis_6_2771 |
| ESTHER : Fellner_2020_ACS.Infect.Dis_6_2771 |
| PubMedSearch : Fellner_2020_ACS.Infect.Dis_6_2771 |
| PubMedID: 32865965 |
| Gene_locus related to this paper: staau-MW0741 , staau-MW2456 , staau-SA1143 , staau-SA2240 , staau-SA2306 , staau-SA2367 , staau-SA2422 , staau-SAV0457 , staau-SAV1793 , staau-SAV2188 |
| Title : Fluorescent Triazole Urea Activity-Based Probes for the Single-Cell Phenotypic Characterization of Staphylococcus aureus - Chen_2019_Angew.Chem.Int.Ed.Engl_58_5643 |
| Author(s) : Chen L , Keller LJ , Cordasco E , Bogyo M , Lentz CS |
| Ref : Angew Chem Int Ed Engl , 58 :5643 , 2019 |
| Abstract : Chen_2019_Angew.Chem.Int.Ed.Engl_58_5643 |
| ESTHER : Chen_2019_Angew.Chem.Int.Ed.Engl_58_5643 |
| PubMedSearch : Chen_2019_Angew.Chem.Int.Ed.Engl_58_5643 |
| PubMedID: 30768830 |