Target
ATP-dependent 6-phosphofructokinase
Ligand
BDBM50446098
Substrate
n/a
Meas. Tech.
ChEMBL_1288119 (CHEMBL3110579)
IC50
1160±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, putative | PFKA_TRYCC | pfk
Type:
PROTEIN
Mol. Mass.:
53581.09
Organism:
Trypanosoma cruzi
Description:
ChEMBL_108019
Residue:
485
Sequence:
MENRLRDTSRVVRSHAAPLNEVTQEDLKVERLHGRKYMNPSKKHVMREEFSDKIEHIMHDPRPQEGVHSELPVSISPLLCELAAPRQRIHFNPPETVVGIVTCGGICPGLNDVIRSLTLTAVNAYRVKRVIGFRFGYWGLSKKGSHTAMELYRTSVTSIHRYGGTILGSSRGPQDTSEMVDTLERLGVNILFTVGGDGTQRGALKIAEEAKRRGANLAVFGIPKTIDNDLSFSHRTFGFETAVDKAVEAVRAAYAEAISLNYGVGVVKLMGRDSGFIAAEAAVASAQANICLVPENPISEDIVMALIQRRFETSRSCVIIVAEGFGQDWEGGTGGHDASGNKKLTDIGVVLTKRIQAWLRKNKERYPNGTVKYIDPSYMIRACPPSANDALFCATLSTLAMHEAMAGATNCIIALRYNSYILVPIKVATSVRRVLDLRGQLWRQVREITVGLQDDVRAFKEAEVRRELEAISLVRERLIGQLSKL
  
Inhibitor
Name:
BDBM50446098
Synonyms:
CHEMBL3108860
Type:
Small organic molecule
Emp. Form.:
C19H18Cl2N4O3S
Mol. Mass.:
453.342
SMILES:
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n(C)n1
Structure:
Search PDB for entries with ligand similarity: