| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cruzipain |
|---|
| Ligand | BDBM50331771 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_686696 (CHEMBL1290876) |
|---|
| IC50 | 3±n/a nM |
|---|
| Citation |  Beaulieu, C; Isabel, E; Fortier, A; Massé, F; Mellon, C; Méthot, N; Ndao, M; Nicoll-Griffith, D; Lee, D; Park, H; Black, WC Identification of potent and reversible cruzipain inhibitors for the treatment of Chagas disease. Bioorg Med Chem Lett20:7444-9 (2010) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cruzipain |
|---|
| Name: | Cruzipain |
|---|
| Synonyms: | CYSP_TRYCR | Cruzain | Cruzaine | Major cysteine proteinase |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 49831.41 |
|---|
| Organism: | Trypanosoma cruzi |
|---|
| Description: | P25779 |
|---|
| Residue: | 467 |
|---|
| Sequence: | MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLS
VFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEV
VGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDK
TDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVEL
PQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYW
IIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSY
FVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVR
SSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL
|
|
|
|---|
| BDBM50331771 |
|---|
| n/a |
|---|
| Name | BDBM50331771 |
|---|
| Synonyms: | (S)-N-((S)-1-cyano-2-phenylethyl)-4-fluoro-4-methyl-2-((S)-2,2,2-trifluoro-1-(4'-(1-(morpholine-4-carbonyl)cyclopropyl)biphenyl-4-yl)ethylamino)pentanamide | CHEMBL1288526 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C37H40F4N4O3 |
|---|
| Mol. Mass. | 664.7321 |
|---|
| SMILES | CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)N1CCOCC1)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N |r| |
|---|
| Structure | 
|
|---|
Search and Browse
