Reaction Details Report a problem with these data
Target
Falcipain-2
Ligand
BDBM12042
Substrate
BDBM12033
Meas. Tech.
Falcipain Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
295.15±n/a K
IC50
58±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:
BDBM12042
Synonyms:
(2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbamoyl]-3-methylbutyl]carbamoyl}oxirane-2-carboxylic acid | E-64 | L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatine | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | trans-Epoxysuccinyl-L-leucylamido(4-guanidino)butane
Type:
Small organic molecule
Emp. Form.:
C15H27N5O5
Mol. Mass.:
357.4054
SMILES:
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |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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