| Reaction Details |
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 | Report a problem with these data |
| Target | Cruzipain |
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| Ligand | BDBM50322741 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_642347 (CHEMBL1177373) |
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| Ki | 800±n/a nM |
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| Citation |  Ferreira, RS; Simeonov, A; Jadhav, A; Eidam, O; Mott, BT; Keiser, MJ; McKerrow, JH; Maloney, DJ; Irwin, JJ; Shoichet, BK Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. J Med Chem53:4891-905 (2010) [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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| BDBM50322741 |
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| n/a |
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| Name | BDBM50322741 |
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| Synonyms: | 2-(3-chloro-4-methoxyphenylamino)-2-oxoethyl 2-(1,3-dioxo-3a,4-dihydro-1H-isoindol-2(3H,7H,7aH)-yl)-4-methylpentanoate | CHEMBL1173693 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H27ClN2O6 |
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| Mol. Mass. | 462.923 |
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| SMILES | COc1ccc(NC(=O)COC(=O)C(CC(C)C)N2C(=O)C3CC=CCC3C2=O)cc1Cl |c:23| |
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| Structure | 
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