Target
ATP-dependent 6-phosphofructokinase
Ligand
BDBM50446108
Substrate
n/a
Meas. Tech.
ChEMBL_1288119 (CHEMBL3110579)
IC50
20600±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:
BDBM50446108
Synonyms:
CHEMBL3108851
Type:
Small organic molecule
Emp. Form.:
C20H21N3O5S
Mol. Mass.:
415.463
SMILES:
COc1ccc(CC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)cc1C
Structure:
Search PDB for entries with ligand similarity: