Reaction Details Report a problem with these data
Target
Cysteine proteinase falcipain 2a
Ligand
BDBM50448262
Substrate
n/a
Meas. Tech.
ChEMBL_1293362 (CHEMBL3122305)
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 2a
Synonyms:
Cysteine protease falcipain-2
Type:
Protein
Mol. Mass.:
55996.21
Organism:
Plasmodium falciparum
Description:
Q9NBD4
Residue:
484
Sequence:
MDYNMDYAPHEVISHQGERFVDKYVDRKILKNKKSLLVIISLSVLSVVGFILFYFTPNFRKSDLFKNSSVENNNDDYIINSLLKSPNGKKFIVSKIDEALSFYDSKKNDINKYNEGNNNNNADFKGLSLFKENTPSNNFIHNKDYFINFFDNKFLMNNAEHINQFYMFIKTNNKQYNSPNEMKERFQVFLQNAHKVNMHNNNKNSLYKKELNRFADLTYHEFKNKYLSLRSSKPLKNSKYLLDQMNYEEVIKKYRGEENFDHAAYDWRLHSGVTPVKDQKNCGSCWAFSSIGSVESQYAIRKNKLITLSEQELVDCSFKNYGCNGGLINNAFEDMIELGGICPDGDYPYVSDAPNLCNIDRCTEKYGIKNYLSVPDNKLKEALRFLGPISISVAVSDDFAFYKEGIFDGECGDELNHAVMLVGFGMKEIVNPLTKKGEKHYYYIIKNSWGQQWGERGFINIETDESGLMRKCGLGTDAFIPLIE
  
Inhibitor
Name:
BDBM50448262
Synonyms:
CHEMBL3120833
Type:
Small organic molecule
Emp. Form.:
C25H30N2O6
Mol. Mass.:
454.5155
SMILES:
CC1(C)OC[C@H](N1C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO |r|
Structure:
Search PDB for entries with ligand similarity: