Reaction Details Report a problem with these data
Target
Enoyl-acyl-carrier protein reductase
Ligand
BDBM50174777
Substrate
n/a
Meas. Tech.
ChEMBL_326719 (CHEMBL858717)
IC50
810±n/a nM
Citation
 Freundlich, JS; Anderson, JW; Sarantakis, D; Shieh, HM; Yu, M; Valderramos, JC; Lucumi, E; Kuo, M; Jacobs, WR; Fidock, DA; Schiehser, GA; Jacobus, DP; Sacchettini, JC Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-substituted triclosan derivatives. Bioorg Med Chem Lett 15:5247-52 (2005) [PubMed]  Article 
Target
Name:
Enoyl-acyl-carrier protein reductase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
49770.86
Organism:
Plasmodium falciparum
Description:
ChEMBL_795989
Residue:
432
Sequence:
MNKISQRLLFLFLHFYTTVCFIQNNTQKTFHNVLQNEQIRGKEKAFYRKEKRENIFIGNKMKHVHNMNNTHNNNHYMEKEEQDASNINKIKEENKNEDICFIAGIGDTNGYGWGIAKELSKRNVKIIFGIWPPVYNIFMKNYKNGKFDNDMIIDKDKKMNILDMLPFDASFDTANDIDEETKNNKRYNMLQNYPIEDVANLIHQKYGKINMLVHSLANAKEVQKDLLNTSRKGYLDALSKSSYSLISLCKYFVNIMKPQSSIISLTYHASQKVVPGYGGGMSSAKAALESDTRVLAYHLGRNYNIRINTISAGPLKSRAATAINKLNNTYENNTNQNKNRNSHDVHNIMNNSGEKEEKKNSASQNYTFIDYAIEYSEKYAPLRQKLLSTDIGSVASFLLSRESRAITGQTIYVDNGLNIMFLPDDIYRNENE
  
Inhibitor
Name:
BDBM50174777
Synonyms:
(3-chloro-4-(4-chloro-2-hydroxyphenoxy)phenyl)(pyrrolidin-1-yl)methanone | CHEMBL370448
Type:
Small organic molecule
Emp. Form.:
C17H15Cl2NO3
Mol. Mass.:
352.212
SMILES:
Oc1cc(Cl)ccc1Oc1ccc(cc1Cl)C(=O)N1CCCC1
Structure:
Search PDB for entries with ligand similarity: