Reaction Details  Report a problem with these data
Target
Cysteine proteinase falcipain 2a
Ligand
BDBM50578421
Substrate
n/a
Meas. Tech.
ChEMBL_2132868 (CHEMBL4842478)
Ki
2600±n/a nM
Citation
 Aratikatla, EK; Kalamuddin, M; Rana, KC; Datta, G; Asad, M; Sundararaman, S; Malhotra, P; Mohmmed, A; Bhattacharya, AK Combating multi-drug resistant malaria parasite by inhibiting falcipain-2 and heme-polymerization: Artemisinin-peptidyl vinyl phosphonate hybrid molecules as new antimalarials. Eur J Med Chem 220:0 (2021) [PubMed]  Article
Target
Name:
Cysteine proteinase falcipain 2a
Synonyms:
Cysteine protease falcipain-2
Type:
Protein
Mol. Mass.:
55996.21
Organism:
Plasmodium falciparum
Description:
Q9NBD4
Residue:
484
Sequence:
MDYNMDYAPHEVISHQGERFVDKYVDRKILKNKKSLLVIISLSVLSVVGFILFYFTPNFRKSDLFKNSSVENNNDDYIINSLLKSPNGKKFIVSKIDEALSFYDSKKNDINKYNEGNNNNNADFKGLSLFKENTPSNNFIHNKDYFINFFDNKFLMNNAEHINQFYMFIKTNNKQYNSPNEMKERFQVFLQNAHKVNMHNNNKNSLYKKELNRFADLTYHEFKNKYLSLRSSKPLKNSKYLLDQMNYEEVIKKYRGEENFDHAAYDWRLHSGVTPVKDQKNCGSCWAFSSIGSVESQYAIRKNKLITLSEQELVDCSFKNYGCNGGLINNAFEDMIELGGICPDGDYPYVSDAPNLCNIDRCTEKYGIKNYLSVPDNKLKEALRFLGPISISVAVSDDFAFYKEGIFDGECGDELNHAVMLVGFGMKEIVNPLTKKGEKHYYYIIKNSWGQQWGERGFINIETDESGLMRKCGLGTDAFIPLIE
  
Inhibitor
Name:
BDBM50578421
Synonyms:
CHEMBL4850572
Type:
Small organic molecule
Emp. Form.:
C47H66N3O12P
Mol. Mass.:
896.0136
SMILES:
[H][C@]1(C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](\C=C\P(=O)(OCC)OCC)c1ccccc1)O[C@H]1O[C@]2([H])O[C@@]3(C)CC[C@@]4([H])[C@H](C)CC[C@@]([H])([C@H]1C)[C@@]24OO3 |r|
Structure:
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