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Target
Cruzipain
Ligand
BDBM50505560
Substrate
n/a
Meas. Tech.
ChEMBL_1823207 (CHEMBL4322971)
IC50
1.4±n/a nM
Citation
 Boudreau, PD; Miller, BW; McCall, LI; Almaliti, J; Reher, R; Hirata, K; Le, T; Siqueira-Neto, JL; Hook, V; Gerwick, WH Design of Gallinamide A Analogs as Potent Inhibitors of the Cysteine Proteases Human Cathepsin L and  J Med Chem 62:9026-9044 (2019) [PubMed]  Article 
Target
Name:
Cruzipain
Synonyms:
CYSP_TRYCR | Cruzain | Cruzaine | Major cysteine proteinase
Type:
Protein
Mol. Mass.:
49831.41
Organism:
Trypanosoma cruzi
Description:
P25779
Residue:
467
Sequence:
MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLSVFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEVVGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDKTDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVELPQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYWIIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSYFVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVRSSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL
  
Inhibitor
Name:
BDBM50505560
Synonyms:
CHEMBL4471760
Type:
Small organic molecule
Emp. Form.:
C46H58N4O7
Mol. Mass.:
778.9753
SMILES:
COC1=CC(=O)N([C@H]1Cc1ccccc1)C(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc1ccccc1)N(C)C |r,t:2|
Structure:
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