ESTHER
Database
Home
Search
Text search
aql query
In Class
Query Builder
Preformed queries
Species
Structures
Mutations
Interactants
Diseases
Genes
Insecticides
Other
Full List
Queries for insecticide resistance
AQL exemples
Tools
Blast
HMMER
Clustal
Psiblast
Intra
Families
Overall Table
Tree Table &
Old Table
Tree Table
Old Table
Explore genes with AQL
Explore species with AQL
All figures of families
Biological
data
Structures
Table
Explore structure with AQL
Mutations
Mutation Viewer
Mutalign
Mutalign 2
Mutalign for insecticide resistance
Queries for insecticide resistance
Explore mutation with AQL
Interactants
Substrates
Inhibitors
Reactivators
Kinetic comparison tool
Inhibitor types
Substrate types
Reactivator types
Explore interactants with AQL
Diseases
Table
Explore disease with AQL
Basics on AChE
Kinetics notes
Gene structures
Molecular forms
AChE Family
Human AChE
ESTHER definition
What is up?
Likid
DB Explorer
Meetings
Suplementary Data
Latest modifications
Bibliography (all years)
Acknowledgments
& disclaimer
Inhibitor
Bibliography
Biblio print
Tree Display
AceDB Schema
XML Display
Feedback
Inhibitor Report for: Isatin-thiosemicarbazone-cpd13
Name
Class
Isatin-thiosemicarbazone-cpd13
Type
Urea derivative
Indole
Sulfur Compound
Other_Name
3-(4-Benzylthiosemicarbazono)-5-methoxyindoline-2-one
(Z)-2-(5-methoxy-2-oxoindolin-3-ylidene)- N-benzyl-hydrazine-1-carbothioamide
(2Z)-N-Benzyl-2-(5-methoxy-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinecarbothioamide
Chemical_Nomenclature
1-benzyl-3-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]thiourea
Formula
C17H16N4O2S
MW
340.4
Paper
Kocyigit_2022_J.Mol.Struct_1264_
Comment
AChE KI 0.94 +/- 0.13 microM; BChE KI 0.82 +/- 0.11 microM
CID
136756103
Family
ACHE
BCHE
InChIKey
FAPGKIBHGOCLQL-UHFFFAOYSA-N
CanonicalSMILES
COC1=CC2=C(C=C1)NC(=C2N=NC(=S)NCC3=CC=CC=C3)O
InChI
InChI=1S/C17H16N4O2S/c1-23-12-7-8-14-13(9-12)15(16(22)19-14)20-21-17(24)18-10-11-5-3-2-4-6-11/h2-9,19,22H,10H2,1H3,(H,18,24)
Send your questions or comments to :
Mail to:
Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite:
Lenfant 2013 Nucleic.Acids.Res.
or
Marchot Chatonnet 2012 Prot.Pept Lett.
For technical information about these pages see:
ESTHER Home Page
and
ACEDB Home Page
AcePerl Lincoln Stein Home Page
webmaster
Acknowledgements and disclaimer