Target
Enoyl-ACP reductase
Ligand
BDBM25422
Substrate
BDBM8737
Meas. Tech.
PfENR Enzymatic Inhibition Assay
pH
7.9±n/a
Temperature
298.15±n/a K
IC50
700±50 nM
Citation
 Freundlich, JSWang, FTsai, HCKuo, MShieh, HMAnderson, JWNkrumah, LJValderramos, JCYu, MKumar, TRValderramos, SGJacobs, WRSchiehser, GAJacobus, DPFidock, DASacchettini, JC X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy. J Biol Chem 282:25436-44 (2007) [PubMed]  Article 
Target
Name:
Enoyl-ACP reductase
Synonyms:
Enoyl-ACP Reductase (PfENR) | Enoyl-ACP reductase
Type:
Enzyme
Mol. Mass.:
49844.02
Organism:
Plasmodium falciparum
Description:
Q9BJJ9
Residue:
432
Sequence:
MNKISQRLLFLFLHFYTTVCFIQNNTQKTFHNVLQNEQIRGKEKAFYRKEKRENIFIGNKMKHVHNMNNTHNNNHYMEKEEQDASNINKIKEENKNEDICFIAGIGDTNGYGWGIAKELSKRNVKIIFGIWPPVYNIFMKNYKNGKFDNDMIIDKDKKMNILDMLPFDASFDTANDIDEETKNNKRYNMLQNYTIEDVANLIHQKYGKINMLVHSLANAKEVQKDLLNTSRKGYLDALSKSSYSLISLCKYFVNIMKPQSSIISLTYHASQKVVPGYGGGMSSAKAALESDTRVLAYHLGRNYNIRINTISAGPLKSRAATAINKLNNTYENNTNQNKNRNRHDVHNIMNNSGEKEEKKISASQNYTFIDYAIEYSEKYAPLRQKLLSTDIGSVASFLLSRESRAITGQTIYVDNGLNIMFLPDDIYRNENE
  
Inhibitor
Name:
BDBM25422
Synonyms:
3-chloro-4-[2-hydroxy-4-(pyridin-2-yl)phenoxy]benzonitrile | Triclosan derivative, 23
Type:
Small organic molecule
Emp. Form.:
C18H11ClN2O2
Mol. Mass.:
322.745
SMILES:
Oc1cc(ccc1Oc1ccc(cc1Cl)C#N)-c1ccccn1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM8737
Synonyms:
2-Butenoyl-CoA | But-2-enoyl-CoA | Crotonoyl-CoA | trans-butyr-2-enoyl-CoA | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E)-but-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C25H40N7O17P3S
Mol. Mass.:
835.608
SMILES:
C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: