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Target
Enoyl-acyl-carrier protein reductase
Ligand
BDBM50135169
Substrate
n/a
Meas. Tech.
ChEMBL_644870 (CHEMBL1211147)
IC50
300±n/a nM
Citation
 Gupta, AK; Saxena, S; Saxena, M Integrated ligand and structure based studies of flavonoids as fatty acid biosynthesis inhibitors of Plasmodium falciparum. Bioorg Med Chem Lett 20:4779-81 (2010) [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:
BDBM50135169
Synonyms:
(-)-Catechin gallate | (2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | 3,4,5-Trihydroxy-benzoic acid (2S,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester | CHEMBL129451
Type:
Small organic molecule
Emp. Form.:
C22H18O10
Mol. Mass.:
442.3723
SMILES:
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1
Structure:
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