Reaction Details Report a problem with these data
Target
Thioredoxin reductase
Ligand
BDBM50206470
Substrate
n/a
Meas. Tech.
ChEMBL_1629022 (CHEMBL3871648)
Ki
2820±n/a nM
Citation
 Ansari, MF; Siddiqui, SM; Ahmad, K; Avecilla, F; Dharavath, S; Gourinath, S; Azam, A Synthesis, antiamoebic and molecular docking studies of furan-thiazolidinone hybrids. Eur J Med Chem 124:393-406 (2016) [PubMed]  Article 
Target
Name:
Thioredoxin reductase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
33740.27
Organism:
Entamoeba histolytica
Description:
ChEMBL_116971
Residue:
314
Sequence:
MSNIHDVVIIGSGPAAHTAAIYLGRSSLKPVMYEGFMAGGVAAGGQLTTTTIIENFPGFPNGIDGNELMMNMRTQSEKYGTTIITETIDHVDFSTQPFKLFTEEGKEVLTKSVIIATGATAKRMHVPGEDKYWQNGVSACAICDGAVPIFRNKVLMVVGGGDAAMEEALHLTKYGSKVIILHRRDAFRASKTMQERVLNHPKIEVIWNSELVELEGDGDLLNGAKIHNLVSGEYKVVPVAGLFYAIGHSPNSKFLGGQVKTADDGYILTEGPKTSVDGVFACGDVCDRVYRQAIVAAGSGCMAALSCEKWLQTH
  
Inhibitor
Name:
BDBM50206470
Synonyms:
CHEMBL3930972
Type:
Small organic molecule
Emp. Form.:
C22H18N2O2S
Mol. Mass.:
374.456
SMILES:
Cc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccco3)C2=O)cc1
Structure:
Search PDB for entries with ligand similarity: