Target
ATP-dependent 6-phosphofructokinase
Ligand
BDBM50446090
Substrate
n/a
Meas. Tech.
ChEMBL_1288121 (CHEMBL3110581)
IC50
24±n/a nM
Citation
 Brimacombe, KRWalsh, MJLiu, LVásquez-Valdivieso, MGMorgan, HPMcNae, IFothergill-Gilmore, LAMichels, PAAuld, DSSimeonov, AWalkinshaw, MDShen, MBoxer, MB Identification of ML251, a Potent Inhibitor of T. brucei and T. cruzi Phosphofructokinase. ACS Med Chem Lett 5:12-7 (2014) [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:
BDBM50446090
Synonyms:
CHEMBL3108868
Type:
Small organic molecule
Emp. Form.:
C17H13ClFN3O3S2
Mol. Mass.:
425.885
SMILES:
Fc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1Cl
Structure:
Search PDB for entries with ligand similarity: