Reaction Details Report a problem with these data
Target
3-oxoacyl-[acyl-carrier-protein] reductase
Ligand
BDBM50070942
Substrate
n/a
Meas. Tech.
ChEMBL_983602 (CHEMBL2427114)
IC50
320±n/a nM
Citation
 Belluti, F; Perozzo, R; Lauciello, L; Colizzi, F; Kostrewa, D; Bisi, A; Gobbi, S; Rampa, A; Bolognesi, ML; Recanatini, M; Brun, R; Scapozza, L; Cavalli, A Design, synthesis, and biological and crystallographic evaluation of novel inhibitors of Plasmodium falciparum enoyl-ACP-reductase (PfFabI). J Med Chem 56:7516-26 (2013) [PubMed]  Article 
Target
Name:
3-oxoacyl-[acyl-carrier-protein] reductase
Synonyms:
3-oxoacyl-(Acyl-carrier protein) reductase | FabG
Type:
PROTEIN
Mol. Mass.:
33360.55
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
ChEMBL_107660
Residue:
301
Sequence:
MSVLHRFYLFFLFTKFFHCYKISYVLKNAKLAPNHAIKNINSLNLLSENKKENYYYCGENKVALVTGAGRGIGREIAKMLAKSVSHVICISRTQKSCDSVVDEIKSFGYESSGYAGDVSKKEEISEVINKILTEHKNVDILVNNAGITRDNLFLRMKNDEWEDVLRTNLNSLFYITQPISKRMINNRYGRIINISSIVGLTGNVGQANYSSSKAGVIGFTKSLAKELASRNITVNAIAPGFISSDMTDKISEQIKKNIISNIPAGRMGTPEEVANLACFLSSDKSGYINGRVFVIDGGLSP
  
Inhibitor
Name:
BDBM50070942
Synonyms:
(-)-Epigallocatechin gallate | (-)-Epigallocatechin-3-o-gallate | (-)-epigallocatechin 3-gallate | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | CHEMBL297453 | EGCG | Epigallocatechin 3-gallate | Epigallocatechin monogallate, B | cid_65064
Type:
Small organic molecule
Emp. Form.:
C22H18O11
Mol. Mass.:
458.3717
SMILES:
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: