Reaction Details Report a problem with these data
Target
Cysteine proteinase falcipain 3
Ligand
BDBM50448252
Substrate
n/a
Meas. Tech.
ChEMBL_1293361 (CHEMBL3122304)
IC50
>50000±n/a nM
Citation
 Weldon, DJ; Shah, F; Chittiboyina, AG; Sheri, A; Chada, RR; Gut, J; Rosenthal, PJ; Shivakumar, D; Sherman, W; Desai, P; Jung, JC; Avery, MA Synthesis, biological evaluation, hydration site thermodynamics, and chemical reactivity analysis ofa-keto substituted peptidomimetics for the inhibition of Plasmodium falciparum. Bioorg Med Chem Lett 24:1274-9 (2014) [PubMed]  Article 
Target
Name:
Cysteine proteinase falcipain 3
Synonyms:
Cysteine protease falcipain-3
Type:
Protein
Mol. Mass.:
56666.98
Organism:
Plasmodium falciparum
Description:
Q9NAW4
Residue:
492
Sequence:
MEYHMEYSPNEVIKQEREVFVGKEKSGSKFKRKRSIFIVLTVSICFMFALMLFYFTRNENNKTLFTNSLSNNINDDYIINSLLKSESGKKFIVSKLEELISSYDKEKKMRTTGAEENNMNMNGIDDKDNKSVSFVNKKNGNLKVNNNNQVSYSNLFDTKFLMDNLETVNLFYIFLKENNKKYETSEEMQKRFIIFSENYRKIELHNKKTNSLYKRGMNKFGDLSPEEFRSKYLNLKTHGPFKTLSPPVSYEANYEDVIKKYKPADAKLDRIAYDWRLHGGVTPVKDQALCGSCWAFSSVGSVESQYAIRKKALFLFSEQELVDCSVKNNGCYGGYITNAFDDMIDLGGLCSQDDYPYVSNLPETCNLKRCNERYTIKSYVSIPDDKFKEALRYLGPISISIAASDDFAFYRGGFYDGECGAAPNHAVILVGYGMKDIYNEDTGRMEKFYYYIIKNSWGSDWGEGGYINLETDENGYKKTCSIGTEAYVPLLE
  
Inhibitor
Name:
BDBM50448252
Synonyms:
CHEMBL3120843
Type:
Small organic molecule
Emp. Form.:
C31H34N2O6
Mol. Mass.:
530.6115
SMILES:
CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CCc1ccccc1)NC(=O)OCc1ccccc1 |r|
Structure:
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