Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetFalcipain 2
LigandBDBM50513161
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1852104 (CHEMBL4352728)
IC50 59±n/a nM
Citation Stoye, AJuillard, ATang, AHLegac, JGut, JWhite, KLCharman, SARosenthal, PJGrau, GERHunt, NHPayne, RJ Falcipain Inhibitors Based on the Natural Product Gallinamide A Are Potent in Vitro and in Vivo Antimalarials. J Med Chem62:5562-5578 (2019) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Falcipain 2
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:
MDYNMDYAPHEVISQQGERFVDKYVDRKILKNKKSLLVIISLSVLSVVGFVLFYFTPNSR
KSDLFKNSSVENNNDDYIINSLLKSPNGKKFIVSKIDEALSFYDSKKNDINKYNEGNNNN
NADFKGLSLFKENTPSNNFIHNKDYFINFFDNKFLMNNAEHINQFYMFIKTNNKQYNSPN
EMKERFQVFLQNAHKVNMHNNNKNSLYKKELNRFADLTYHEFKNKYLSLRSSKPLKNSKY
LLDQMNYEEVIKKYRGEENFDHAAYDWRLHSGVTPVKDQKNCGSCWAFSSIGSVESQYAI
RKNKLITLSEQELVDCSFKNYGCNGGLINNAFEDMIELGGICPDGDYPYVSDAPNLCNID
RCTEKYGIKNYLSVPDNKLKEALRFLGPISISVAVSDDFAFYKEGIFDGECGDQLNHAVM
LVGFGMKEIVNPLTKKGEKHYYYIIKNSWGQQWGERGFINIETDESGLMRKCGLGTDAFI
PLIE
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50513161
n/a
NameBDBM50513161
Synonyms:CHEMBL4472824
TypeSmall organic molecule
Emp. Form.C43H61F3N6O8
Mol. Mass.846.975
SMILESOC(=O)C(F)(F)F.COC1=CC(=O)N([C@H]1Cc1c[nH]c2ccccc12)C(=O)\C=C\[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](C(C)C)N(C)C |r,t:8|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: