Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50322743
Substrate
n/a
Meas. Tech.
ChEMBL_1650523 (CHEMBL3999657)
IC50
15000±n/a nM
Citation
 Braga, SF; Martins, LC; da Silva, EB; Sales Júnior, PA; Murta, SM; Romanha, AJ; Soh, WT; Brandstetter, H; Ferreira, RS; de Oliveira, RB Synthesis and biological evaluation of potential inhibitors of the cysteine proteases cruzain and rhodesain designed by molecular simplification. Bioorg Med Chem 25:1889-1900 (2017) [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:
BDBM50322743
Synonyms:
8-chloro-N-(3-morpholinopropyl)-5H-pyrimido[5,4-b]indol-4-amine | CHEMBL597857 | GNF-Pf-4478 | cid_661700
Type:
Small organic molecule
Emp. Form.:
C17H20ClN5O
Mol. Mass.:
345.827
SMILES:
Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1
Structure:
Search PDB for entries with ligand similarity: