| Reaction Details |
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 | Report a problem with these data |
| Target | Cruzipain |
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| Ligand | BDBM50108861 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_471525 (CHEMBL938460) |
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| Ki | 10.4±n/a nM |
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| Citation |  Freitas, RF; Oprea, TI; Montanari, CA 2D QSAR and similarity studies on cruzain inhibitors aimed at improving selectivity over cathepsin L. Bioorg Med Chem16:838-53 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cruzipain |
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| Name: | Cruzipain |
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| Synonyms: | CYSP_TRYCR | Cruzain | Cruzaine | Major cysteine proteinase |
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| Type: | Protein |
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| Mol. Mass.: | 49831.41 |
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| Organism: | Trypanosoma cruzi |
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| Description: | P25779 |
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| Residue: | 467 |
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| Sequence: | MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLS
VFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEV
VGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDK
TDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVEL
PQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYW
IIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSY
FVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVR
SSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL
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| BDBM50108861 |
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| n/a |
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| Name | BDBM50108861 |
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| Synonyms: | CHEMBL348117 | benzyl (S)-1-oxo-1-((S)-3-oxo-1-phenyl-4-(2,4,4-trimethylpentan-2-ylthio)butan-2-ylamino)-3-phenylpropan-2-ylcarbamate | {1-[1-Benzyl-2-oxo-3-(1,1,3,3-tetramethyl-butylsulfanyl)-propylcarbamoyl]-2-phenyl-ethyl}-carbamic acid benzyl ester |
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| Type | Small organic molecule |
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| Emp. Form. | C35H44N2O4S |
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| Mol. Mass. | 588.8 |
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| SMILES | CC(C)(C)CC(C)(C)SCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |
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| Structure | 
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