Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50292467
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.8±0
Temperature
298.15±0 K
IC50
6.0e+4±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:
BDBM50292467
Synonyms:
Antioquine | Antioquine (S,R) | CHEMBL446564 | CHEMBL452904
Type:
Small organic molecule
Emp. Form.:
C37H40N2O6
Mol. Mass.:
608.7233
SMILES:
COc1cc2CCN(C)[C@H]3Cc4ccc(OC)c(c4)-c4cc(C[C@H]5N(C)CCc6cc(OC)c(Oc(c1O)c23)cc56)ccc4O |r|
Structure:
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