| Reaction Details |
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 | Report a problem with these data |
| Target | Cruzipain |
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| Ligand | BDBM50502822 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1809002 (CHEMBL4308361) |
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| Ki | 4.0±n/a nM |
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| Citation |  Gomes, JC; Cianni, L; Ribeiro, J; Dos Reis Rocho, F; da Costa Martins Silva, S; Batista, PHJ; Moraes, CB; Franco, CH; Freitas-Junior, LHG; Kenny, PW; Leitão, A; Burtoloso, ACB; de Vita, D; Montanari, CA Synthesis and structure-activity relationship of nitrile-based cruzain inhibitors incorporating a trifluoroethylamine-based P2 amide replacement. Bioorg Med Chem27:0 (2019) [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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| BDBM50502822 |
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| n/a |
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| Name | BDBM50502822 |
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| Synonyms: | CHEMBL4522247 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H19ClF3N3O |
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| Mol. Mass. | 421.843 |
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| SMILES | FC(F)(F)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)c1cccc(Cl)c1 |r| |
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| Structure | 
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