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Target
Thioredoxin reductase 3
Ligand
BDBM50076184
Substrate
n/a
Meas. Tech.
ChEMBL_1473852 (CHEMBL3418929)
IC50
12800±n/a nM
Citation
 Zhang, B; Duan, D; Ge, C; Yao, J; Liu, Y; Li, X; Fang, J Synthesis of xanthohumol analogues and discovery of potent thioredoxin reductase inhibitor as potential anticancer agent. J Med Chem 58:1795-805 (2015) [PubMed]  Article
Target
Name:
Thioredoxin reductase 3
Synonyms:
TGR | TGR | TRXR3 | TRXR3_HUMAN | TXNRD3 | Thioredoxin and glutathione reductase | Thioredoxin reductase 3 | Thioredoxin reductase TR2
Type:
PROTEIN
Mol. Mass.:
70543.23
Organism:
Homo sapiens (Human)
Description:
ChEMBL_104858
Residue:
642
Sequence:
MERSPPQSPGPGKAGDAPNRRSGHVRGARVLSPPGRRARLSSPGPSRSSEAREELRRHLVGLIERSRVVIFSKSYCPHSTRVKELFSSLGVECNVLELDQVDDGARVQEVLSEITNQKTVPNIFVNKVHVGGCDQTFQAYQSGLLQKLLQEDLAYDYDLIIIGGGSGGLSCAKEAAILGKKVMVLDFVVPSPQGTSWGLGGTCVNVGCIPKKLMHQAALLGQALCDSRKFGWEYNQQVRHNWETMTKAIQNHISSLNWGYRLSLREKAVAYVNSYGEFVEHHKIKATNKKGQETYYTAAQFVIATGERPRYLGIQGDKEYCITSDDLFSLPYCPGKTLVVGASYVALECAGFLAGFGLDVTVMVRSILLRGFDQEMAEKVGSYMEQHGVKFLRKFIPVMVQQLEKGSPGKLKVLAKSTEGTETIEGVYNTVLLAIGRDSCTRKIGLEKIGVKINEKSGKIPVNDVEQTNVPYVYAVGDILEDKPELTPVAIQSGKLLAQRLFGASLEKCDYINVPTTVFTPLEYGCCGLSEEKAIEVYKKENLEIYHTLFWPLEWTVAGRENNTCYAKIICNKFDHDRVIGFHILGPNAGEVTQGFAAAMKCGLTKQLLDDTIGIHPTCGEVFTTLEITKSSGLDITQKGCG
  
Inhibitor
Name:
BDBM50076184
Synonyms:
CHEMBL32856
Type:
Small organic molecule
Emp. Form.:
C18H17NO6
Mol. Mass.:
343.3307
SMILES:
COc1cc(OC)c(C(=O)\C=C\c2cccc(c2)[N+]([O-])=O)c(OC)c1
Structure:
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