Reaction Details Report a problem with these data
Target
Cysteine protease falcipain-3 [5-492]
Ligand
BDBM50243232
Substrate
n/a
Meas. Tech.
ChEMBL_491631 (CHEMBL945402)
IC50
21±n/a nM
Citation
 Verissimo, E; Berry, N; Gibbons, P; Cristiano, ML; Rosenthal, PJ; Gut, J; Ward, SA; O'Neill, PM Design and synthesis of novel 2-pyridone peptidomimetic falcipain 2/3 inhibitors. Bioorg Med Chem Lett 18:4210-4 (2008) [PubMed]  Article 
Target
Name:
Cysteine protease falcipain-3 [5-492]
Synonyms:
Cysteine protease falcipain-3 | Q9NAW4_PLAFA
Type:
PROTEIN
Mol. Mass.:
56106.86
Organism:
Plasmodium falciparum
Description:
ChEMBL_430127
Residue:
488
Sequence:
MEYSPNEVIKQEREVFVGKEKSGSKFKRKRSIFIVLTVSICFMFALMLFYFTRNENNKTLFTNSLSNNINDDYIINSLLKSESGKKFIVSKLEELISSYDKEKKMRTTGAEENNMNMNGIDDKDNKSVSFVNKKNGNLKVNNNNQVSYSNLFDTKFLMDNLETVNLFYIFLKENNKKYETSEEMQKRFIIFSENYRKIELHNKKTNSLYKRGMNKFGDLSPEEFRSKYLNLKTHGPFKTLSPPVSYEANYEDVIKKYKPADAKLDRIAYDWRLHGGVTPVKDQALCGSCWAFSSVGSVESQYAIRKKALFLFSEQELVDCSVKNNGCYGGYITNAFDDMIDLGGLCSQDDYPYVSNLPETCNLKRCNERYTIKSYVSIPDDKFKEALRYLGPISISIAASDDFAFYRGGFYDGECGAAPNHAVILVGYGMKDIYNEDTGRMEKFYYYIIKNSWGSDWGEGGYINLETDENGYKKTCSIGTEAYVPLLE
  
Inhibitor
Name:
BDBM50243232
Synonyms:
CHEMBL486232 | GNF-PF-5434 | N-((S)-4-methyl-1-oxo-1-((S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)pentan-2-yl)morpholine-4-carboxamide | N~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-2-ENYL]-D-LEUCINAMIDE
Type:
Small organic molecule
Emp. Form.:
C28H37N3O5S
Mol. Mass.:
527.675
SMILES:
CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29|
Structure:
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