Reaction Details Report a problem with these data
Target
Falcipain 2
Ligand
BDBM50225297
Substrate
n/a
Meas. Tech.
ChEMBL_458633 (CHEMBL941962)
IC50
12932±n/a nM
Citation
 Biot, C; Pradines, B; Sergeant, MH; Gut, J; Rosenthal, PJ; Chibale, K Design, synthesis, and antimalarial activity of structural chimeras of thiosemicarbazone and ferroquine analogues. Bioorg Med Chem Lett 17:6434-8 (2007) [PubMed]  Article 
Target
Name:
Falcipain 2
Synonyms:
Cysteine protease falcipain-2 | Falcipain 2 | Falcipain-2
Type:
Enzyme
Mol. Mass.:
55912.60
Organism:
Plasmodium falciparum
Description:
Recombinant falcipain-2.
Residue:
484
Sequence:
MDYNMDYAPHEVISQQGERFVDKYVDRKILKNKKSLLVIISLSVLSVVGFVLFYFTPNSRKSDLFKNSSVENNNDDYIINSLLKSPNGKKFIVSKIDEALSFYDSKKNDINKYNEGNNNNNADFKGLSLFKENTPSNNFIHNKDYFINFFDNKFLMNNAEHINQFYMFIKTNNKQYNSPNEMKERFQVFLQNAHKVNMHNNNKNSLYKKELNRFADLTYHEFKNKYLSLRSSKPLKNSKYLLDQMNYEEVIKKYRGEENFDHAAYDWRLHSGVTPVKDQKNCGSCWAFSSIGSVESQYAIRKNKLITLSEQELVDCSFKNYGCNGGLINNAFEDMIELGGICPDGDYPYVSDAPNLCNIDRCTEKYGIKNYLSVPDNKLKEALRFLGPISISVAVSDDFAFYKEGIFDGECGDQLNHAVMLVGFGMKEIVNPLTKKGEKHYYYIIKNSWGQQWGERGFINIETDESGLMRKCGLGTDAFIPLIE
  
Inhibitor
Name:
BDBM50225297
Synonyms:
(E)-1-(4-(4-bromophenyl)-4-oxobutan-2-ylidene)-4-(2-(7-chloroquinolin-4-ylamino)ethyl)thiosemicarbazide | CHEMBL250155
Type:
Small organic molecule
Emp. Form.:
C22H21BrClN5OS
Mol. Mass.:
518.857
SMILES:
CC(CC(=O)c1ccc(Br)cc1)=NNC(=S)NCCNc1ccnc2cc(Cl)ccc12 |w:12.13|
Structure:
Search PDB for entries with ligand similarity: