Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50603795
Substrate
n/a
Meas. Tech.
ChEMBL_2245278 (CHEMBL5159488)
IC50
0.130000±n/a nM
Citation
 Barbosa Da Silva, E; Sharma, V; Hernandez-Alvarez, L; Tang, AH; Stoye, A; O'Donoghue, AJ; Gerwick, WH; Payne, RJ; McKerrow, JH; Podust, LM Intramolecular Interactions Enhance the Potency of Gallinamide A Analogues against  J Med Chem 65:4255-4269 (2022) [PubMed] 
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:
BDBM50603795
Synonyms:
CHEMBL5175270
Type:
Small organic molecule
Emp. Form.:
C50H62N6O6
Mol. Mass.:
843.0639
SMILES:
COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C1CCN(C)CC1 |r,t:2|
Structure:
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