Reaction Details Report a problem with these data
Target
Thioredoxin reductase
Ligand
BDBM50385303
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
5e+1±n/a nM
IC50
2e+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:
BDBM50385303
Synonyms:
CHEMBL2035460 | US8592468, EbSe14
Type:
Small organic molecule
Emp. Form.:
C16H12N2O2Se2
Mol. Mass.:
422.2
SMILES:
O=c1n(CCn2[se]c3ccccc3c2=O)[se]c2ccccc12
Structure:
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