Reaction Details |
| Report a problem with these data |
Target | Cruzipain |
---|
Ligand | BDBM50322737 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_642348 (CHEMBL1177374) |
---|
IC50 | 300±n/a nM |
---|
Citation | Ferreira, RS; Simeonov, A; Jadhav, A; Eidam, O; Mott, BT; Keiser, MJ; McKerrow, JH; Maloney, DJ; Irwin, JJ; Shoichet, BK Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J Med Chem53:4891-905 (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
|
|
|
BDBM50322737 |
---|
n/a |
---|
Name | BDBM50322737 |
Synonyms: | 2-(2-chloro-5-(trifluoromethyl)phenylamino)-2-oxo-1-phenylethyl 2-benzamidoacetate | CHEMBL1173672 |
Type | Small organic molecule |
Emp. Form. | C24H18ClF3N2O4 |
Mol. Mass. | 490.859 |
SMILES | FC(F)(F)c1ccc(Cl)c(NC(=O)C(OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1 |
Structure |
|