Reaction Details  Report a problem with these data
Target
Thioredoxin reductase 3
Ligand
BDBM50218804
Substrate
n/a
Meas. Tech.
ChEMBL_210422 (CHEMBL811694)
IC50
13500±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]
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:
BDBM50218804
Synonyms:
CHEMBL89475 | SCH-49209
Type:
Small organic molecule
Emp. Form.:
C20H14O7
Mol. Mass.:
366.321
SMILES:
[H][C@]12O[C@@]1([H])C1(Oc3cccc4cccc(O1)c34)[C@@]13O[C@@]1([C@@H](O)C=CC3=O)[C@H]2O |c:28|
Structure:
Search PDB for entries with ligand similarity: