| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cruzipain |
|---|
| Ligand | BDBM50108872 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_471525 (CHEMBL938460) |
|---|
| Ki | 59.1±n/a nM |
|---|
| Citation |  Freitas, RF; Oprea, TI; Montanari, CA 2D QSAR and similarity studies on cruzain inhibitors aimed at improving selectivity over cathepsin L. Bioorg Med Chem16:838-53 (2008) [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
|
|
|
|---|
| BDBM50108872 |
|---|
| n/a |
|---|
| Name | BDBM50108872 |
|---|
| Synonyms: | 3-(3-{2-[(Morpholine-4-carbonyl)-amino]-3-phenyl-propionylamino}-2-oxo-4-phenyl-butylsulfanyl)-propionic acid ethyl ester | CHEMBL161148 | ethyl 3-((S)-3-((S)-2-(morpholine-4-carboxamido)-3-phenylpropanamido)-2-oxo-4-phenylbutylthio)propanoate |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C29H37N3O6S |
|---|
| Mol. Mass. | 555.686 |
|---|
| SMILES | CCOC(=O)CCSCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 |
|---|
| Structure | 
|
|---|
Search and Browse
