Reaction Details Report a problem with these data
Target
Falcipain-2
Ligand
BDBM12041
Substrate
BDBM12033
Meas. Tech.
Falcipain Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
295.15±n/a K
IC50
5.8±n/a nM
Citation
 Dominguez, JN; Leon, C; Rodrigues, J; Gamboa de Dominguez, N; Gut, J; Rosenthal, PJ Synthesis and evaluation of new antimalarial phenylurenyl chalcone derivatives. J Med Chem 48:3654-8 (2005) [PubMed]  Article 
Target
Name:
Falcipain-2
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
55912.57
Organism:
Plasmodium falciparum
Description:
n/a
Residue:
484
Sequence:
MDYNMDYAPHEVISQQGERFVDKYVDRKILKNKKSLLVIISLSVLSVVGFVLFYFTPNSRKSDLFKNSSVENNNDDYIINSLLKSPNGKKFIVSKIDEALSFYDSKKNDINKYNEGNNNNNADFKGLSLFKENTPSNNFIHNKDYFINFFDNKFLMNNAEHINQFYMFIKTNNKQYNSPNEMKERFQVFLQNAHKVNMHNNNKNSLYKKELNRFADLTYHEFKNKYLSLRSSKPLKNSKYLLDQMNYEEVIKKYRGEENFDHAAYDWRLHSGVTPVKDQKNCGSCWAFSSIGSVESQYAIRKNKLITLSEQELVDCSFKNYGCNGGLINNAFEDMIELGGICPDGDYPYVSDAPNLCNIDRCTEKYGIKNYLSVPDNKLKEALRFLGPISISVAVSDDFAFYKEGIFDGECGDELNHAVMLVGFGMKEIVNPLTKKGEKHYYYIIKNSWGQQWGERGFINIETDESGLMRKCGLGTDAFIPLIE
  
Inhibitor
Name:
BDBM12041
Synonyms:
(2S)-2-({5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}amino)-N-[(2S)-2-acetamido-4-methylpentanoyl]-4-methylpentanamide | Acetyl-Leu-Leu-Arg-CHO | Leupeptin (LEU)
Type:
Small organic molecule
Emp. Form.:
C20H38N6O4
Mol. Mass.:
426.5535
SMILES:
CC(C)C[C@H](NC(CCCNC(N)=N)C=O)C(=O)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
Structure:
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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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