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Target
Thioredoxin reductase 3
Ligand
BDBM50218798
Substrate
n/a
Meas. Tech.
ChEMBL_210422 (CHEMBL811694)
IC50
20100±n/a nM
Citation
 Wipf, P; Hopkins, TD; Jung, JK; Rodriguez, S; Birmingham, A; Southwick, EC; Lazo, JS; Powis, G New inhibitors of the thioredoxin-thioredoxin reductase system based on a naphthoquinone spiroketal natural product lead. Bioorg Med Chem Lett 11:2637-41 (2001) [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:
BDBM50218798
Synonyms:
CHEMBL91371
Type:
Small organic molecule
Emp. Form.:
C31H19BrO5
Mol. Mass.:
551.384
SMILES:
Brc1ccc(cc1)-c1ccc(COc2cccc3c2C(=O)C=CC32Oc3cccc4cccc(O2)c34)o1 |c:23|
Structure:
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