Reaction Details Report a problem with these data
Target
Enoyl-acyl carrier reductase ENR
Ligand
BDBM50174774
Substrate
n/a
Meas. Tech.
TgENR Inhibition Assay
pH
7.5±n/a
IC50
16±0.0 nM
Comments
extracted
Citation
 Afanador, GA; Muench, SP; McPhillie, M; Fomovska, A; Schön, A; Schön, Y; Cheng, G; Stec, J; Freundlich, JS; Shieh, HM; Anderson, JW; Jacobus, DP; Fidock, DA; Kozikowski, AP; Fishwick, CW; Rice, DW; Freire, E; McLeod, R; Prigge, ST Discrimination of potent inhibitors of Toxoplasma gondii enoyl-acyl carrier protein reductase by a thermal shift assay. Biochemistry 52:9155-66 (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:
BDBM50174774
Synonyms:
2‐({[3‐chloro‐4‐(4‐chloro‐2‐ hydroxyphenoxy)phenyl]amino}methyl)benzonitrile (10) | 2-((3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenylamino)methyl)benzonitrile | CHEMBL200492
Type:
Small organic molecule
Emp. Form.:
C20H14Cl2N2O2
Mol. Mass.:
385.243
SMILES:
Oc1cc(Cl)ccc1Oc1ccc(NCc2ccccc2C#N)cc1Cl
Structure:
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