Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50306593
Substrate
n/a
Meas. Tech.
ChEMBL_611209 (CHEMBL1065731)
Ki
1040±n/a nM
Citation
Brak, K; Kerr, ID; Barrett, KT; Fuchi, N; Debnath, M; Ang, K; Engel, JC; McKerrow, JH; Doyle, PS; Brinen, LS; Ellman, JA Nonpeptidic tetrafluorophenoxymethyl ketone cruzain inhibitors as promising new leads for Chagas disease chemotherapy. J Med Chem 53:1763-73 (2010) [PubMed] Article
More Info.:
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:
BDBM50306593
Synonyms:
3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)butan-2-yl)-1H-1,2,3-triazol-1-yl)-1-(2,3,5,6-tetrafluorophenoxy)pentan-2-one | CHEMBL604946
Type:
Small organic molecule
Emp. Form.:
C28H29F4N5O2
Mol. Mass.:
543.5558
SMILES:
CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r|