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Target
Cruzipain
Ligand
BDBM7457
Substrate
n/a
Meas. Tech.
ChEMBL_595793 (CHEMBL1048800)
IC50
30000±n/a nM
Citation
 Jadhav, A; Ferreira, RS; Klumpp, C; Mott, BT; Austin, CP; Inglese, J; Thomas, CJ; Maloney, DJ; Shoichet, BK; Simeonov, A Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. J Med Chem 53:37-51 (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:
BDBM7457
Synonyms:
2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromen-4-one | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromone;dihydrate | CHEMBL31574 | Fisetin (14) | Fisetin, 15 | fisetin
Type:
Small organic molecule
Emp. Form.:
C15H10O6
Mol. Mass.:
286.2363
SMILES:
Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Structure:
Search PDB for entries with ligand similarity: