Reaction Details
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Thioredoxin reductase 3
Ligand
BDBM50474573
Substrate
n/a
Meas. Tech.
ChEMBL_210559 (CHEMBL819270)
IC50
1600±n/a nM
Citation
McNaughton, M; Engman, L; Birmingham, A; Powis, G; Cotgreave, IA Cyclodextrin-derived diorganyl tellurides as glutathione peroxidase mimics and inhibitors of thioredoxin reductase and cancer cell growth. J Med Chem 47:233-9 (2004) [PubMed] Article More Info.:
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:
BDBM50474573
Synonyms:
CHEMBL385299
Type:
Small organic molecule
Emp. Form.:
C49H76O35Te
Mol. Mass.:
1352.7
SMILES:
[H][C@]12[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]3([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]4([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]5([H])[#8]-[#6](-[#6][Te;v2]c6ccc(-[#8]-[#6])cc6)[C@@]([H])([#8][C@@]6([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]7([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8][C@@]8([H])[#8]-[#6](-[#6]-[#8])[C@@]([H])([#8]1)[#6](-[#8])-[#6]8-[#8])[#6](-[#8])-[#6]7-[#8])[#6](-[#8])-[#6]6-[#8])[#6](-[#8])-[#6]5-[#8])[#6](-[#8])-[#6]4-[#8])[#6](-[#8])-[#6]3-[#8])[#6](-[#8])-[#6]2-[#8]
Structure:
