| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cruzipain |
|---|
| Ligand | BDBM50126140 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1523287 (CHEMBL3629994) |
|---|
| IC50 | 125±n/a nM |
|---|
| Citation |  Neitz, RJ; Bryant, C; Chen, S; Gut, J; Caselli, EH; Ponce, S; Chowdhury, S; Xu, H; Arkin, MR; Ellman, JA; Renslo, AR Tetrafluorophenoxymethyl ketone cruzain inhibitors with improved pharmacokinetic properties as therapeutic leads for Chagas' disease. Bioorg Med Chem Lett25:4834-7 (2015) [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
|
|
|
|---|
| BDBM50126140 |
|---|
| n/a |
|---|
| Name | BDBM50126140 |
|---|
| Synonyms: | CHEMBL3628936 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C27H29F4N5O4S2 |
|---|
| Mol. Mass. | 627.674 |
|---|
| SMILES | CC(C)[C@](C)(NCc1ccc2ncsc2c1)c1cn(nn1)C(CCS(C)(=O)=O)C(=O)COc1c(F)c(F)cc(F)c1F |r| |
|---|
| Structure | 
|
|---|
Search and Browse
