Reaction Details Report a problem with these data
Target
Cysteine protease falcipain-3 [5-492]
Ligand
BDBM50183392
Substrate
n/a
Meas. Tech.
ChEMBL_336665 (CHEMBL862348)
IC50
37700±n/a nM
Citation
 Desai, PV; Patny, A; Gut, J; Rosenthal, PJ; Tekwani, B; Srivastava, A; Avery, M Identification of novel parasitic cysteine protease inhibitors by use of virtual screening. 2. The available chemical directory. J Med Chem 49:1576-84 (2006) [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:
BDBM50183392
Synonyms:
4-(5-(5-(morpholinosulfonyl)thiophen-2-yl)thiophen-2-ylsulfonyl)morpholine | CHEMBL203649
Type:
Small organic molecule
Emp. Form.:
C16H20N2O6S4
Mol. Mass.:
464.6
SMILES:
O=S(=O)(N1CCOCC1)c1ccc(s1)-c1ccc(s1)S(=O)(=O)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: