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Target
Cruzipain
Ligand
BDBM50373125
Substrate
n/a
Meas. Tech.
ChEMBL_466897 (CHEMBL935785)
IC50
95000±n/a nM
Citation
 Babaoglu, K; Simeonov, A; Irwin, JJ; Nelson, ME; Feng, B; Thomas, CJ; Cancian, L; Costi, MP; Maltby, DA; Jadhav, A; Inglese, J; Austin, CP; Shoichet, BK Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J Med Chem 51:2502-11 (2008) [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:
BDBM50373125
Synonyms:
CHEMBL258670
Type:
Small organic molecule
Emp. Form.:
C16H10O7
Mol. Mass.:
314.2464
SMILES:
OC(=O)C=Cc1c2ccc(O)c(O)c2oc2c(O)c(=O)ccc12 |w:4.4|
Structure:
Search PDB for entries with ligand similarity: