Target
Cruzipain
Ligand
BDBM50108866
Substrate
n/a
Meas. Tech.
ChEMBL_471525 (CHEMBL938460)
Ki
5±n/a nM
Citation
 Freitas, RFOprea, TIMontanari, CA 2D QSAR and similarity studies on cruzain inhibitors aimed at improving selectivity over cathepsin L. Bioorg Med Chem 16:838-53 (2008) [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:
BDBM50108866
Synonyms:
(1-{1-Benzyl-3-[1-(2,2-dimethyl-propyl)-1,3,3-trimethyl-butylsulfanyl]-2-oxo-propylcarbamoyl}-2-phenyl-ethyl)-carbamic acid benzyl ester | CHEMBL161573 | benzyl (S)-1-oxo-1-((S)-3-oxo-4-(2,2,4,6,6-pentamethylheptan-4-ylthio)-1-phenylbutan-2-ylamino)-3-phenylpropan-2-ylcarbamate
Type:
Small organic molecule
Emp. Form.:
C39H52N2O4S
Mol. Mass.:
644.906
SMILES:
CC(C)(C)CC(C)(CC(C)(C)C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: