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Target
Falcipain 2
Ligand
BDBM50321811
Substrate
n/a
Meas. Tech.
ChEMBL_641372 (CHEMBL1175064)
Ki
8200±n/a nM
Citation
 Ettari, R; Zappalà, M; Micale, N; Schirmeister, T; Gelhaus, C; Leippe, M; Evers, A; Grasso, S Synthesis of novel peptidomimetics as inhibitors of protozoan cysteine proteases falcipain-2 and rhodesain. Eur J Med Chem 45:3228-33 (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:
BDBM50321811
Synonyms:
(4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid 1-{[(2R,3S)-2-tert-butylthio-5-oxo-tetrahydrofuran-3-ylcarbamoyl]-methyl}-(3R)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylmethyl ester | CHEMBL1171866
Type:
Small organic molecule
Emp. Form.:
C34H32ClF3N4O6S
Mol. Mass.:
717.154
SMILES:
CC(C)(C)S[C@H]1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:24|
Structure:
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