Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50581364
Substrate
n/a
Meas. Tech.
ChEMBL_2150847 (CHEMBL5035309)
Ki
>100000±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:
BDBM50581364
Synonyms:
CHEMBL5079046
Type:
Small organic molecule
Emp. Form.:
C25H32N4O3
Mol. Mass.:
436.5466
SMILES:
CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1Cc2ccccc2C[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: