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Target
Falcipain 2
Ligand
BDBM50513159
Substrate
n/a
Meas. Tech.
ChEMBL_1852104 (CHEMBL4352728)
IC50
169±n/a nM
Citation
 Stoye, A; Juillard, A; Tang, AH; Legac, J; Gut, J; White, KL; Charman, SA; Rosenthal, PJ; Grau, GER; Hunt, NH; Payne, RJ Falcipain Inhibitors Based on the Natural Product Gallinamide A Are Potent in Vitro and in Vivo Antimalarials. J Med Chem 62:5562-5578 (2019) [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:
BDBM50513159
Synonyms:
CHEMBL4516951
Type:
Small organic molecule
Emp. Form.:
C48H69F3N6O8
Mol. Mass.:
915.0921
SMILES:
OC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C)C1CCCCC1 |r,t:8|
Structure:
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