Adamantyl-ebselen
Ebselen and derivatives are effective inhibitors of the Ag85 complex through covalent modification of a cysteine residue proximal to the Ag85 active site and are therefore covalent, allosteric inhibitors
General
Type : Adamantyl,Organoselenium,Thiol-reactive
Chemical_Nomenclature : N-(1-adamantyl)-2-$l^{1}-selanylbenzamide
Canonical SMILES : C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4[Se]
InChI : InChI=1S\/C17H20NOSe\/c19-16(14-3-1-2-4-15(14)20)18-17-8-11-5-12(9-17)7-13(6-11)10-17\/h1-4,11-13H,5-10H2,(H,18,19)
InChIKey : FBLBIFHUFJOWKZ-UHFFFAOYSA-N
Other name(s) : Adamantyl ebselen,6Y1
MW : 333.32
Formula : C17H20NOSe
CAS_number :
PubChem : 124222731
UniChem : FBLBIFHUFJOWKZ-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Adamantyl-ebselen ligand of proteins in family: A85-Mycolyl-transferase
Stucture : 5KWI M.tb Ag85C modified at C209 by adamantyl-ebselen
Protein : myctu-a85c
References (1)
| Title : Exploring Covalent Allosteric Inhibition of Antigen 85C from Mycobacterium tuberculosis by Ebselen Derivatives - Goins_2017_ACS.Infect.Dis_3_378 |
| Author(s) : Goins CM , Dajnowicz S , Thanna S , Sucheck SJ , Parks JM , Ronning DR |
| Ref : ACS Infect Dis , 3 :378 , 2017 |
| Abstract : Goins_2017_ACS.Infect.Dis_3_378 |
| ESTHER : Goins_2017_ACS.Infect.Dis_3_378 |
| PubMedSearch : Goins_2017_ACS.Infect.Dis_3_378 |
| PubMedID: 28285521 |
| Gene_locus related to this paper: myctu-a85c |