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TargetCruzipain
LigandBDBM4078
Substrate/Competitorn/a
Meas. Tech.ChEMBL_466898
IC50 220000±n/a nM
Citation Babaoglu KSimeonov AIrwin JJNelson MEFeng BThomas CJCancian LCosti MPMaltby DAJadhav AInglese JAustin CPShoichet BK Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase. J Med Chem 51:2502-11 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cruzipain
Name:Cruzipain
Synonyms: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:
BDBM4078
n/a
NameBDBM4078
Synonyms:6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione | CHEMBL6246 | ELLAGIC ACID | Elagic Acid | Ellagic acid (18) | Ellagic acid dihydrate | MLS000069632 | SMR000058244 | cid_5281855
TypeSmall organic molecule
Emp. Form.C14H6O8
Mol. Mass.302.1926
SMILESOc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Structure
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