Reaction Details Report a problem with these data
Target
ATP-dependent 6-phosphofructokinase
Ligand
BDBM50270447
Substrate
n/a
Meas. Tech.
ChEMBL_530309 (CHEMBL980371)
IC50
49000±n/a nM
Citation
 Nowicki, MW; Tulloch, LB; Worralll, L; McNae, IW; Hannaert, V; Michels, PA; Fothergill-Gilmore, LA; Walkinshaw, MD; Turner, NJ Design, synthesis and trypanocidal activity of lead compounds based on inhibitors of parasite glycolysis. Bioorg Med Chem 16:5050-61 (2008) [PubMed]  Article 
Target
Name:
ATP-dependent 6-phosphofructokinase
Synonyms:
6-phospho-1-fructokinase | PFKA_TRYBB | pfk
Type:
PROTEIN
Mol. Mass.:
53537.94
Organism:
Trypanosoma brucei
Description:
ChEMBL_1288121
Residue:
487
Sequence:
MAVESRSRVTSKLVKAHRAMLNSVTQEDLKVDRLPGADYPNPSKKYSSRTEFRDKTDYIMYNPRPRDEPSSENPVSVSPLLCELAAARSRIHFNPTETTIGIVTCGGICPGLNDVIRSITLTGINVYNVKRVIGFRFGYWGLSKKGSQTAIELHRGRVTNIHHYGGTILGSSRGPQDPKEMVDTLERLGVNILFTVGGDGTQRGALVISQEAKRRGVDISVFGVPKTIDNDLSFSHRTFGFQTAVEKAVQAIRAAYAEAVSANYGVGVVKLMGRDSGFIAAQAAVASAQANICLVPENPISEQEVMSLLERRFCHSRSCVIIVAEGFGQDWGRGSGGYDASGNKKLIDIGVILTEKVKAFLKANKSRYPDSTVKYIDPSYMIRACPPSANDALFCATLATLAVHEAMAGATGCIIAMRHNNYILVPIKVATSVRRVLDLRGQLWRQVREITVDLGSDVRLARKLEIRRELEAINRNRDRLHEELAKL
  
Inhibitor
Name:
BDBM50270447
Synonyms:
(2S,3S,4S,5R)-N-(3,4-dichlorobenzyl)-5-((cycloheptylamino)methyl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide | CHEMBL518599
Type:
Small organic molecule
Emp. Form.:
C20H28Cl2N2O4
Mol. Mass.:
431.353
SMILES:
O[C@H]1[C@H](O)[C@H](O[C@@H]1CNC1CCCCCC1)C(=O)NCc1ccc(Cl)c(Cl)c1 |r|
Structure:
Search PDB for entries with ligand similarity: