Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50286450
Substrate
n/a
Meas. Tech.
ChEMBL_2150847 (CHEMBL5035309)
Ki
0.440000±n/a nM
Citation
 Li, L; Chenna, BC; Yang, KS; Cole, TR; Goodall, ZT; Giardini, M; Moghadamchargari, Z; Hernandez, EA; Gomez, J; Calvet, CM; Bernatchez, JA; Mellott, DM; Zhu, J; Rademacher, A; Thomas, D; Blankenship, LR; Drelich, A; Laganowsky, A; Tseng, CK; Liu, WR; Wand, AJ; Cruz-Reyes, J; Siqueira-Neto, JL; Meek, TD Self-Masked Aldehyde Inhibitors: A Novel Strategy for Inhibiting Cysteine Proteases. J Med Chem 64:11267-11287 (2021) [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:
BDBM50286450
Synonyms:
CHEMBL128135 | [(S)-1-((S)-1-Benzyl-2-oxo-ethylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C26H26N2O4
Mol. Mass.:
430.4956
SMILES:
O=C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Structure:
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