Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCruzipain
LigandBDBM50306601
Substrate/Competitorn/a
Meas. Tech.ChEMBL_611209 (CHEMBL1065731)
Ki 1220±n/a nM
Citation Brak, KKerr, IDBarrett, KTFuchi, NDebnath, MAng, KEngel, JCMcKerrow, JHDoyle, PSBrinen, LSEllman, JA Nonpeptidic tetrafluorophenoxymethyl ketone cruzain inhibitors as promising new leads for Chagas disease chemotherapy. J Med Chem53:1763-73 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cruzipain
Name:Cruzipain
Synonyms:CYSP_TRYCR | Cruzain | Cruzaine | Major cysteine proteinase
Type:Protein
Mol. Mass.:49831.41
Organism:Trypanosoma cruzi
Description:P25779
Residue:467
Sequence:
MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLS
VFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEV
VGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDK
TDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVEL
PQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYW
IIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSY
FVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVR
SSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50306601
n/a
NameBDBM50306601
Synonyms:3-(4-((S)-1-cyclohexyl-1-(quinolin-6-ylmethylamino)ethyl)-1H-1,2,3-triazol-1-yl)-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one | CHEMBL591771
TypeSmall organic molecule
Emp. Form.C33H37F4N5O2
Mol. Mass.611.6728
SMILESCCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C1CCCCC1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: