Reaction Details Report a problem with these data
Target
Cysteine proteinase falcipain 2a
Ligand
BDBM50578407
Substrate
n/a
Meas. Tech.
ChEMBL_2132867 (CHEMBL4842477)
IC50
>100000±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
More Info.:
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:
BDBM50578407
Synonyms:
CHEMBL4861198
Type:
Small organic molecule
Emp. Form.:
C50H64N3O12P
Mol. Mass.:
930.0298
SMILES:
[H][C@]1(C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(\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|