Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50114613
Substrate
n/a
Meas. Tech.
ChEMBL_683902 (CHEMBL1285900)
IC50
40±n/a nM
Citation
 Hernandes, MZ; Rabello, MM; Leite, AC; Cardoso, MV; Moreira, DR; Brondani, DJ; Simone, CA; Reis, LC; Souza, MA; Pereira, VR; Ferreira, RS; McKerrow, JH Studies toward the structural optimization of novel thiazolylhydrazone-based potent antitrypanosomal agents. Bioorg Med Chem 18:7826-35 (2010) [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:
BDBM50114613
Synonyms:
(1E)-1-(3-bromophenyl)propan-1-one thiosemicarbazone | CHEMBL313679
Type:
Small organic molecule
Emp. Form.:
C10H12BrN3S
Mol. Mass.:
286.191
SMILES:
CCC(=NNC(N)=S)c1cccc(Br)c1 |w:3.3|
Structure:
Search PDB for entries with ligand similarity: