Reaction Details Report a problem with these data
Target
Enoyl-acyl carrier reductase
Ligand
BDBM97411
Substrate
n/a
Meas. Tech.
Fabl Assay
pH
7.4±0
IC50
>1.43e+5±n/a nM
Citation
 Samal, RP; Khedkar, VM; Pissurlenkar, RR; Bwalya, AG; Tasdemir, D; Joshi, RA; Rajamohanan, PR; Puranik, VG; Coutinho, EC Design, Synthesis, Structural Characterization by IR, (1) H, (13) C, (15) N, 2D-NMR, X-Ray Diffraction and Evaluation of a New Class of Phenylaminoacetic Acid Benzylidene Hydrazines as pfENR Inhibitors. Chem Biol Drug Des 81:715-29 (2013) [PubMed]  Article 
Target
Name:
Enoyl-acyl carrier reductase
Synonyms:
Enoyl-ACP reductase (ENR)
Type:
Protein
Mol. Mass.:
49835.97
Organism:
Plasmodium falciparum
Description:
Q9BH77
Residue:
432
Sequence:
MNKISQRLLFLFLHFYTIVCFIQNNTQKTFHNVLHNEQIRGKEKAFYRKEKRENIFIGNKMKHLNNMNNTHNNNHYMEKEEQDASNIYKIKEENKNEDICFIAGIGDTNGYGWGIAKELSKRNVKIIFGIWPPVYNIFMKNYKNGKFDNDMIIDKDKKMNILDMLPFDASFDTANDIDEETKNNKRYNMLQNYTIEDVANLIHQKYGKINMLVHSLANAKEVQKDLLNTSRKGYLDALSKSSYSLISLCKYFVNIMKPQSSIISLTYHASQKVVPGYGGGMSSAKAALESDTRVLAYHLGRNYNIRINTISAGPLKSRAATAINKLNNTYENNTNQNKNRNSHDVHNIMNNSGEKEEKKNSASQNYTFIDYAIEYSEKYAPLRQKLLSTDIGSVASFLLSRESRAITGQTIYVDNGLNIMFLPDDIYRNENE
  
Inhibitor
Name:
BDBM97411
Synonyms:
Phenylaminoacetic acid benzylidene hydrazine analog, 3
Type:
Small molecule
Emp. Form.:
C17H18ClN3O3
Mol. Mass.:
347.796
SMILES:
COc1ccc(\C=N\NC(=O)CNc2ccc(Cl)cc2)cc1OC
Structure:
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