| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cysteine protease falcipain-3 [5-492] |
|---|
| Ligand | BDBM50157754 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_430127 (CHEMBL919605) |
|---|
| IC50 | 12000±n/a nM |
|---|
| Citation |  Desai, PV; Patny, A; Sabnis, Y; Tekwani, B; Gut, J; Rosenthal, P; Srivastava, A; Avery, M Identification of novel parasitic cysteine protease inhibitors using virtual screening. 1. The ChemBridge database. J Med Chem47:6609-15 (2004) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cysteine protease falcipain-3 [5-492] |
|---|
| 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: | MEYSPNEVIKQEREVFVGKEKSGSKFKRKRSIFIVLTVSICFMFALMLFYFTRNENNKTL
FTNSLSNNINDDYIINSLLKSESGKKFIVSKLEELISSYDKEKKMRTTGAEENNMNMNGI
DDKDNKSVSFVNKKNGNLKVNNNNQVSYSNLFDTKFLMDNLETVNLFYIFLKENNKKYET
SEEMQKRFIIFSENYRKIELHNKKTNSLYKRGMNKFGDLSPEEFRSKYLNLKTHGPFKTL
SPPVSYEANYEDVIKKYKPADAKLDRIAYDWRLHGGVTPVKDQALCGSCWAFSSVGSVES
QYAIRKKALFLFSEQELVDCSVKNNGCYGGYITNAFDDMIDLGGLCSQDDYPYVSNLPET
CNLKRCNERYTIKSYVSIPDDKFKEALRYLGPISISIAASDDFAFYRGGFYDGECGAAPN
HAVILVGYGMKDIYNEDTGRMEKFYYYIIKNSWGSDWGEGGYINLETDENGYKKTCSIGT
EAYVPLLE
|
|
|
|---|
| BDBM50157754 |
|---|
| n/a |
|---|
| Name | BDBM50157754 |
|---|
| Synonyms: | CHEMBL436500 | methyl 2-(2-(2-(4,6-dimethylpyrimidin-2-ylthio)acetoxy)acetamido)benzoate |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C18H19N3O5S |
|---|
| Mol. Mass. | 389.426 |
|---|
| SMILES | COC(=O)c1ccccc1NC(=O)COC(=O)CSc1nc(C)cc(C)n1 |
|---|
| Structure | 
|
|---|
Search and Browse
