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Target
Thioredoxin reductase
Ligand
BDBM50406014
Substrate
n/a
Meas. Tech.
ChEMBL_2266110
IC50
16580±n/a nM
Citation
 He, YL; Zhong, M; Song, ZL; Shen, YK; Zhao, L; Fang, J Synthesis and discovery of Baylis-Hillman adducts as potent and selective thioredoxin reductase inhibitors for cancer treatment. Bioorg Med Chem 79:0 (2023) [PubMed]
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:
BDBM50406014
Synonyms:
CHEMBL5271737
Type:
Small organic molecule
Emp. Form.:
C22H31N3O6
Mol. Mass.:
433.498
SMILES:
CCOC(=O)CNC(=O)C(CC(C)C)NC(=O)C(=C)COC(=O)Nc1ccc(C)cc1
Structure:
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