Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50603792
Substrate
n/a
Meas. Tech.
ChEMBL_2245278 (CHEMBL5159488)
IC50
0.280000±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:
BDBM50603792
Synonyms:
CHEMBL5176188
Type:
Small organic molecule
Emp. Form.:
C50H67N5O7
Mol. Mass.:
850.0963
SMILES:
COC1=CC(=O)N(C1Cc1ccc(cc1)-c1ccc(OC)cc1)C(=O)\C=C\[C@@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C |r,t:2|
Structure:
Search PDB for entries with ligand similarity: