Reaction Details Report a problem with these data
Target
Falcipain 2
Ligand
BDBM50033625
Substrate
n/a
Meas. Tech.
ChEMBL_1435072 (CHEMBL3388289)
IC50
6.9±n/a nM
Citation
 Conroy, T; Guo, JT; Elias, N; Cergol, KM; Gut, J; Legac, J; Khatoon, L; Liu, Y; McGowan, S; Rosenthal, PJ; Hunt, NH; Payne, RJ Synthesis of gallinamide A analogues as potent falcipain inhibitors and antimalarials. J Med Chem 57:10557-63 (2014) [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:
BDBM50033625
Synonyms:
CHEMBL3352874
Type:
Small organic molecule
Emp. Form.:
C40H60F3N5O8
Mol. Mass.:
795.9283
SMILES:
[O-]C(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@@H](C(C)C)C(OCc2ccccc2)=CC1=O |r,c:52|
Structure:
Search PDB for entries with ligand similarity: