Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM85444
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.8±0
Temperature
298.15±0 K
IC50
2.35e+5±n/a nM
Citation
 Fournet, A; Inchausti, A; Yaluff, G; Rojas De Arias, A; Guinaudeau, H; Bruneton, J; Breidenbach, MA; Karplus, PA; Faerman, CH Trypanocidal bisbenzylisoquinoline alkaloids are inhibitors of trypanothione reductase. J Enzym Inhib 13:1-9 (1998) [PubMed]  Article 
Target
Name:
Trypanothione reductase
Synonyms:
N(1),N(8)-bis(glutathionyl)spermidine reductase | TPR | TYTR_CRIFA | Trypanothione Reductase (TR)
Type:
Protein
Mol. Mass.:
53225.75
Organism:
Crithidia fasciculata
Description:
P39040
Residue:
491
Sequence:
MSRAYDLVVIGAGSGGLEAGWNAASLHKKRVAVIDLQKHHGPPHYAALGGTCVNVGCVPKKLMVTGANYMDTIRESAGFGWELDRESVRPNWKALIAAKNKAVSGINDSYEGMFADTEGLTFHQGFGALQDNHTVLVRESADPNSAVLETLDTEYILLATGSWPQHLGIEGDDLCITSNEAFYLDEAPKRALCVGGGYISIEFAGIFNAYKARGGQVDLAYRGDMILRGFDSELRKQLTEQLRANGINVRTHENPAKVTKNADGTRHVVFESGAEADYDVVMLAIGRVPRSQTLQLDKAGVEVAKNGAIKVDAYSKTNVDNIYAIGDVTDRVMLTPVAINEGAAFVDTVFANKPRATDHTKVACAVFSIPPMGVCGYVEEDAAKKYDQVAVYESSFTPLMHNISGSTYKKFMVRIVTNHADGEVLGVHMLGDSSPEIIQSVAICLKMGAKISDFYNTIGVHPTSAEELCSMRTPAYFYQKGKRVEKIDSNL
  
Inhibitor
Name:
BDBM85444
Synonyms:
CHEMBL506025 | Isotetrandrine (R,S) | Pheanthine (R,R)
Type:
Small organic molecule
Emp. Form.:
C38H42N2O6
Mol. Mass.:
622.7499
SMILES:
COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(OC)c(Oc5cc6[C@H](Cc7ccc(Oc1c2)cc7)N(C)CCc6cc5OC)c34 |r|
Structure:
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