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Target
Thioredoxin reductase 3
Ligand
BDBM50179991
Substrate
n/a
Meas. Tech.
ChEMBL_1583304 (CHEMBL3816267)
Ki
280±n/a nM
Citation
 Sweeney, M; Coyle, R; Kavanagh, P; Berezin, AA; Lo Re, D; Zissimou, GA; Koutentis, PA; Carty, MP; Aldabbagh, F Discovery of anti-cancer activity for benzo[1,2,4]triazin-7-ones: Very strong correlation to pleurotin and thioredoxin reductase inhibition. Bioorg Med Chem 24:3565-70 (2016) [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:
BDBM50179991
Synonyms:
CHEMBL3814977
Type:
Small organic molecule
Emp. Form.:
C21H22O5
Mol. Mass.:
354.3964
SMILES:
[H][C@@]12CC[C@@]3([H])C4CC[C@]33[C@@]1([H])[C@]([H])(OC2=O)C1=C(C(=O)C=CC1=O)[C@@]3([H])OC[C@H]4C |r,c:24,t:20|
Structure:
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