Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50505557
Substrate
n/a
Meas. Tech.
ChEMBL_1823207 (CHEMBL4322971)
IC50
0.470000±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:
BDBM50505557
Synonyms:
CHEMBL4527930
Type:
Small organic molecule
Emp. Form.:
C36H58N4O7
Mol. Mass.:
658.8683
SMILES:
CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)\C=C\C(=O)N1[C@H](C)C(OCCCCC#C)=CC1=O |r,c:43|
Structure:
Search PDB for entries with ligand similarity: