Reaction Details Report a problem with these data
Target
Thioredoxin reductase
Ligand
BDBM106940
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
5.5e+2±n/a nM
IC50
7e+3±n/a nM
Citation
 Holmgren, A; Lu, J; Vlamis-Gardikas, A; Zhao, R; Kandasamy, K; Engman, L; Engstrand, L; Hoffner, S Bacterial thioredoxin reductase inhibitors and methods for use thereof US Patent  US8592468 Publication Date 11/26/2013 
Target
Name:
Thioredoxin reductase
Synonyms:
TRXB_ECOLI | Thioredoxin reductase (TrxR) | trxB
Type:
Protein
Mol. Mass.:
34615.59
Organism:
Escherichia coli (strain K12)
Description:
P0A9P4
Residue:
321
Sequence:
MGTTKHSKLLILGSGPAGYTAAVYAARANLQPVLITGMEKGGQLTTTTEVENWPGDPNDLTGPLLMERMHEHATKFETEIIFDHINKVDLQNRPFRLNGDNGEYTCDALIIATGASARYLGLPSEEAFKGRGVSACATCDGFFYRNQKVAVIGGGNTAVEEALYLSNIASEVHLIHRRDGFRAEKILIKRLMDKVENGNIILHTNRTLEEVTGDQMGVTGVRLRDTQNSDNIESLDVAGLFVAIGHSPNTAIFEGQLELENGYIKVQSGIHGNATQTSIPGVFAAGDVMDHIYRQAITSAGTGCMAALDAERYLDGLADAK
  
Inhibitor
Name:
BDBM106940
Synonyms:
US8592468, EbSe7
Type:
Small organic molecule
Emp. Form.:
C13H8ClNOSe
Mol. Mass.:
308.62
SMILES:
Clc1ccc(cc1)-n1[se]c2ccccc2c1=O
Structure:
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