Reaction Details Report a problem with these data
Target
Glutathione reductase, mitochondrial
Ligand
BDBM50052006
Substrate
n/a
Meas. Tech.
ChEMBL_72475 (CHEMBL685508)
IC50
3500±n/a nM
Citation
 Schönleben-Janas, A; Kirsch, P; Mittl, PR; Schirmer, RH; Krauth-Siegel, RL Inhibition of human glutathione reductase by 10-arylisoalloxazines: crystalline, kinetic, and electrochemical studies. J Med Chem 39:1549-54 (1996) [PubMed]  Article 
Target
Name:
Glutathione reductase, mitochondrial
Synonyms:
GLUR | GRD1 | GSHR_HUMAN | GSR | Glutathione reductase | Glutathione reductase (GR)
Type:
Enzyme
Mol. Mass.:
56271.52
Organism:
Homo sapiens (Human)
Description:
P00390
Residue:
522
Sequence:
MALLPRALSAGAGPSWRRAARAFRGFLLLLPEPAALTRALSRAMACRQEPQPQGPPPAAGAVASYDYLVIGGGSGGLASARRAAELGARAAVVESHKLGGTCVNVGCVPKKVMWNTAVHSEFMHDHADYGFPSCEGKFNWRVIKEKRDAYVSRLNAIYQNNLTKSHIEIIRGHAAFTSDPKPTIEVSGKKYTAPHILIATGGMPSTPHESQIPGASLGITSDGFFQLEELPGRSVIVGAGYIAVEMAGILSALGSKTSLMIRHDKVLRSFDSMISTNCTEELENAGVEVLKFSQVKEVKKTLSGLEVSMVTAVPGRLPVMTMIPDVDCLLWAIGRVPNTKDLSLNKLGIQTDDKGHIIVDEFQNTNVKGIYAVGDVCGKALLTPVAIAAGRKLAHRLFEYKEDSKLDYNNIPTVVFSHPPIGTVGLTEDEAIHKYGIENVKTYSTSFTPMYHAVTKRKTKCVMKMVCANKEEKVVGIHMQGLGCDEMLQGFAVAVKMGATKADFDNTVAIHPTSSEELVTLR
  
Inhibitor
Name:
BDBM50052006
Synonyms:
10-Pentafluorophenyl-10H-benzo[g]pteridine-2,4-dione | CHEMBL290422
Type:
Small organic molecule
Emp. Form.:
C16H5F5N4O2
Mol. Mass.:
380.2285
SMILES:
Fc1c(F)c(F)c(c(F)c1F)-n1c2ccccc2nc2c1nc(=O)[nH]c2=O |(1.04,2.2,;1.06,.66,;2.4,-.07,;3.73,.69,;2.4,-1.63,;3.73,-2.4,;1.07,-2.4,;-.26,-1.65,;-1.59,-2.44,;-.28,-.11,;-1.62,.63,;1.09,-3.94,;-.25,-4.72,;-1.57,-3.95,;-2.91,-4.72,;-2.91,-6.26,;-1.57,-7.03,;-.25,-6.26,;1.1,-7.03,;2.44,-6.25,;2.41,-4.69,;3.76,-3.92,;5.1,-4.68,;6.42,-3.89,;5.11,-6.23,;3.78,-7.02,;3.79,-8.56,)|
Structure:
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