Reaction Details Report a problem with these data
Target
Enoyl-acyl carrier reductase ENR
Ligand
BDBM50431919
Substrate
n/a
Meas. Tech.
ChEMBL_953658 (CHEMBL2352562)
IC50
965±n/a nM
Citation
 Cheng, G; Muench, SP; Zhou, Y; Afanador, GA; Mui, EJ; Fomovska, A; Lai, BS; Prigge, ST; Woods, S; Roberts, CW; Hickman, MR; Lee, PJ; Leed, SE; Auschwitz, JM; Rice, DW; McLeod, R Design, synthesis, and biological activity of diaryl ether inhibitors of Toxoplasma gondii enoyl reductase. Bioorg Med Chem Lett 23:2035-43 (2013) [PubMed]  Article 
Target
Name:
Enoyl-acyl carrier reductase ENR
Synonyms:
Enoyl-acyl carrier reductase | Enoyl-acyl carrier reductase (ENR) | Enoyl-acyl carrier reductase, putative
Type:
PROTEIN
Mol. Mass.:
43663.67
Organism:
Toxoplasma gondii
Description:
ChEMBL_1290812
Residue:
417
Sequence:
MVGFKLLTLGAFVAGELTLVGPAGTMAFTVPNATGAKPLVTSVSVRPSWSSARQNAFSSSSSRSQSSVRPHSAFVTNRLETAGETGTQHRAADSAAGVGAAQSAFPIDLRGQTAFVAGVADSHGYGWAIAKHLASAGARVALGTWPPVLGLFQKSLQSGRLDEDRKLPDGSLIEFAGVYPLDAAFDKPEDVPQDIKDNKRYAGVDGYTIKEVAVKVKQDLGNIDILVHSLANGPEVTKPLLETSRKGYLAASSNSAYSFVSLLQHFGPIMNEGGSAVTLSYLAAERVVPGYGGGMSSAKAALESDTRTLAWEAGQKYGVRVNAISAGPLKSRAASAIGKSGEKSFIDYAIDYSYNNAPLRRDLHSDDVGGAALFLLSPLARAVSGVTLYVDNGLHAMGQAVDSRSMPPLQRATQEIN
  
Inhibitor
Name:
BDBM50431919
Synonyms:
CHEMBL2347830
Type:
Small organic molecule
Emp. Form.:
C17H19ClN2O3S
Mol. Mass.:
366.862
SMILES:
CC(=O)N1CCN(Cc2ccc(Oc3ccc(Cl)cc3O)s2)CC1
Structure:
Search PDB for entries with ligand similarity: