Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50311252
Substrate
n/a
Meas. Tech.
ChEMBL_619860 (CHEMBL1109341)
IC50
50±n/a nM
Citation
 Bryant, C; Kerr, ID; Debnath, M; Ang, KK; Ratnam, J; Ferreira, RS; Jaishankar, P; Zhao, D; Arkin, MR; McKerrow, JH; Brinen, LS; Renslo, AR Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases. Bioorg Med Chem Lett 19:6218-21 (2009) [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:
BDBM50311252
Synonyms:
(1R,2R)-2-(4-chlorobenzoyl)-N-((S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)cyclohexanecarboxamide | CHEMBL1079162
Type:
Small organic molecule
Emp. Form.:
C31H32ClNO4S
Mol. Mass.:
550.108
SMILES:
Clc1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:28.31|
Structure:
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