Reaction Details |
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Target | Cruzipain |
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Ligand | BDBM50108841 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_471525 (CHEMBL938460) |
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Ki | 7.5±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 |
Synonyms: | CYSP_TRYCR | 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
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BDBM50108841 |
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n/a |
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Name | BDBM50108841 |
Synonyms: | CHEMBL161508 | [1-(1-Benzyl-3-cyclohexylsulfanyl-2-oxo-propylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester | benzyl (S)-1-((S)-4-(cyclohexylthio)-3-oxo-1-phenylbutan-2-ylamino)-1-oxo-3-phenylpropan-2-ylcarbamate |
Type | Small organic molecule |
Emp. Form. | C33H38N2O4S |
Mol. Mass. | 558.731 |
SMILES | O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSC1CCCCC1)OCc1ccccc1 |
Structure |
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