BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTrypanothione reductase
LigandBDBM50280882
Substrate/Competitorn/a
Meas. Tech.ChEBML_211972
Ki 43000±n/a nM
Citation Tromelin, AMoutiez, MMeziane-Cherif, DAumercier, MTartar, ASergheraert, C Synthesis of non reducible inhibitors for trypanothione reductase from Trypanosoma cruziBioorg Med Chem Lett3:1971-1976 (1993)    Article
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:
BDBM50280882
n/a
NameBDBM50280882
Synonyms:(3-(2-Benzyloxycarbonylamino-2-{[(3-dimethylamino-propylcarbamoyl)-methyl]-carbamoyl}-ethylsulfanyl)-1-{[(3-dimethylamino-propylcarbamoyl)-methyl]-carbamoyl}-propyl)-carbamic acid benzyl ester | CHEMBL60430
TypeSmall organic molecule
Emp. Form.C37H56N8O8S
Mol. Mass.772.954
SMILESCN(C)CCCNC(=O)CNC(=O)C(CCSCC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCCN(C)C)NC(=O)OCc1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: