Reaction Details Report a problem with these data
Target
Cruzipain
Ligand
BDBM35377
Substrate
n/a
Meas. Tech.
ChEMBL_595793 (CHEMBL1048800)
IC50
>120000±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
More Info.:
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:
BDBM35377
Synonyms:
MLS000081820 | N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide | N-[4-(4-methylphenyl)-2-thiazolyl]-5-isoxazolecarboxamide | N-[4-(p-tolyl)thiazol-2-yl]isoxazole-5-carboxamide | SMR000063580 | cid_2999703
Type:
Small organic molecule
Emp. Form.:
C14H11N3O2S
Mol. Mass.:
285.321
SMILES:
Cc1ccc(cc1)-c1csc(NC(=O)c2ccno2)n1