Reaction Details |
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Target | Cruzipain |
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Ligand | BDBM50108851 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_471525 (CHEMBL938460) |
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Ki | 130.7±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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BDBM50108851 |
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n/a |
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Name | BDBM50108851 |
Synonyms: | CHEMBL159247 | Morpholine-4-carboxylic acid {1-[1-benzyl-2-oxo-3-(3-phenyl-propylsulfanyl)-propylcarbamoyl]-3-methyl-butyl}-amide | N-((S)-4-methyl-1-oxo-1-((S)-3-oxo-1-phenyl-4-(3-phenylpropylthio)butan-2-ylamino)pentan-2-yl)morpholine-4-carboxamide |
Type | Small organic molecule |
Emp. Form. | C30H41N3O4S |
Mol. Mass. | 539.729 |
SMILES | CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCCCc1ccccc1 |
Structure |
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