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Target
Cruzipain
Ligand
BDBM50070156
Substrate
n/a
Meas. Tech.
ChEMBL_595792 (CHEMBL1048799)
IC50
>60000±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:
BDBM50070156
Synonyms:
(S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydroxyphenoxy)ethylamino)ethyl)phenyl)benzenesulfonamide | (S)-4-(3-hexylureido)-N-(4-(2-(2-hydroxy-3-(4-hydroxyphenoxy)propylamino)ethyl)phenyl)benzenesulfonamide | 4-(3-Hexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenyl)-benzenesulfonamide | 4-(3-Hexyl-ureido)-N-(4-{2-[2-hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenyl)-benzenesulfonamide | CHEMBL12998 | L-755507
Type:
Small organic molecule
Emp. Form.:
C30H40N4O6S
Mol. Mass.:
584.727
SMILES:
CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Structure:
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