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Target
Falcipain 2
Ligand
BDBM50322341
Substrate
n/a
Meas. Tech.
ChEMBL_642736 (CHEMBL1177216)
Ki
2220±n/a nM
Citation
 Bova, F; Ettari, R; Micale, N; Carnovale, C; Schirmeister, T; Gelhaus, C; Leippe, M; Grasso, S; Zappalà, M Constrained peptidomimetics as antiplasmodial falcipain-2 inhibitors. Bioorg Med Chem 18:4928-38 (2010) [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:
BDBM50322341
Synonyms:
CHEMBL1171803 | Methyl4-(2-((R)-3-((4-chloro-2-(trifluoromethyl)phenylcarbamoyloxy)methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)acetamido)-6-methylhept-2-enoate
Type:
Small organic molecule
Emp. Form.:
C35H34ClF3N4O6
Mol. Mass.:
699.116
SMILES:
COC(=O)\C=C\[C@H](CC(C)C)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:23|
Structure:
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