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Target
Falcipain 2
Ligand
BDBM23147
Substrate
BDBM12033
Meas. Tech.
Falcipain-2 Inhibition Assay
pH
5.5±n/a
Temperature
295.15±n/a K
IC50
11070±n/a nM
Citation
 Chipeleme, A; Gut, J; Rosenthal, PJ; Chibale, K Synthesis and biological evaluation of phenolic Mannich bases of benzaldehyde and (thio)semicarbazone derivatives against the cysteine protease falcipain-2 and a chloroquine resistant strain of Plasmodium falciparum. Bioorg Med Chem 15:273-82 (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:
BDBM23147
Synonyms:
[(E)-({3-[(diethylamino)methyl]-2,4-dihydroxyphenyl}methylidene)amino]thiourea | thiosemicarbazone derivative, 3a
Type:
Small organic molecule
Emp. Form.:
C13H20N4O2S
Mol. Mass.:
296.388
SMILES:
CCN(CC)Cc1c(O)ccc(C=NNC(N)=S)c1O |w:12.11|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12033
Synonyms:
CBZ-Leu-Arg-AMC | Z-Leu-Arg-AMC | benzyl N-[(1S)-1-{[(1S)-4-carbamimidamido-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]butyl]carbamoyl}-3-methylbutyl]carbamate | benzyloxycarbonyl-Leu-Arg-7-amino-4-methyl-coumarin
Type:
Small organic molecule
Emp. Form.:
C30H38N6O6
Mol. Mass.:
578.6593
SMILES:
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccc2c(-[#6])cc(=O)oc2c1 |r|
Structure:
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