Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM50330784
Substrate
n/a
Meas. Tech.
ChEMBL_685423 (CHEMBL1285322)
IC50
>500000±n/a nM
Citation
 Eidam, O; Romagnoli, C; Caselli, E; Babaoglu, K; Pohlhaus, DT; Karpiak, J; Bonnet, R; Shoichet, BK; Prati, F Design, synthesis, crystal structures, and antimicrobial activity of sulfonamide boronic acids asß-lactamase inhibitors. J Med Chem 53:7852-63 (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:
BDBM50330784
Synonyms:
CHEMBL1231476 | Pinacol(Phenylmethanesulfonylamino)methaneboronate | {[(benzylsulfonyl)amino]methyl}boronic acid
Type:
Small organic molecule
Emp. Form.:
C8H12BNO4S
Mol. Mass.:
229.061
SMILES:
OB(O)CNS(=O)(=O)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: