Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTrypanothione reductase
LigandBDBM24778
Substrate/Competitorn/a
Meas. Tech.ChEMBL_210045 (CHEMBL812446)
IC50 55000±n/a nM
Citation Salmon-Chemin, LBuisine, EYardley, VKohler, SDebreu, MALandry, VSergheraert, CCroft, SLKrauth-Siegel, RLDavioud-Charvet, E 2- and 3-substituted 1,4-naphthoquinone derivatives as subversive substrates of trypanothione reductase and lipoamide dehydrogenase from Trypanosoma cruzi: synthesis and correlation between redox cycling activities and in vitro cytotoxicity. J Med Chem44:548-65 (2001) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Trypanothione reductase
Name:Trypanothione reductase
Synonyms:N(1),N(8)-bis(glutathionyl)spermidine reductase | TPR | TR | TYTR_TRYCR
Type:Homodimer; oxidoreductase
Mol. Mass.:53868.26
Organism:Trypanosoma cruzi
Description:n/a
Residue:492
Sequence:
MMSKIFDLVVIGAGSGGLEAAWNAATLYKKRVAVIDVQMVHGPPFFSALGGTCVNVGCVP
KKLMVTGAQYMEHLRESAGFGWEFDRTTLRAEWKKLIAVKDEAVLNINKSYEEMFRDTEG
LEFFLGWGSLESKNVVNVRESADPASAVKERLETENILLASGSWPHMPNIPGIEHCISSN
EAFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPKDGQVTLCYRGEMILRGFDHTLREELT
KQLTANGIQILTKENPAKVELNADGSKSVTFESGKKMDFDLVMMAIGRSPRTKDLQLQNA
GVMIKNGGVQVDEYSRTNVSNIYAIGDVTNRVMLTPVAINEAAALVDTVFGTNPRKTDHT
RVASAVFSIPPIGTCGLIEEVASKRYEVVAVYLSSFTPLMHNISGSKYKTFVAKIITNHS
DGTVLGVHLLGDNAPEIIQGVGICLKLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYVK
GEKMEKPSEASL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM24778
n/a
NameBDBM24778
Synonyms:2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-methyl-1,4-naphthoquinone, 5 | CHEMBL590 | Menadione | Menadione (5d) | Menadione (Vitamin K3) | Menadione, 9 | Vitamin K3 | cid_4055
TypeSmall organic molecule
Emp. Form.C11H8O2
Mol. Mass.172.18
SMILESCC1=CC(=O)c2ccccc2C1=O |t:1|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: