| Reaction Details |
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 | Report a problem with these data |
| Target | Cruzipain |
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| Ligand | BDBM20095 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2048968 (CHEMBL4703667) |
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| Ki | 2512±n/a nM |
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| Citation |  Ribeiro, JFR; Cianni, L; Li, C; Warwick, TG; de Vita, D; Rosini, F; Dos Reis Rocho, F; Martins, FCP; Kenny, PW; Lameira, J; Leitão, A; Emsley, J; Montanari, CA Crystal structure of Leishmania mexicana cysteine protease B in complex with a high-affinity azadipeptide nitrile inhibitor. Bioorg Med Chem28:0 (2020) [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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| BDBM20095 |
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| n/a |
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| Name | BDBM20095 |
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| Synonyms: | dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-phenylethyl]carbamate |
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| Type | Small organic molecule |
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| Emp. Form. | C16H21N3O3 |
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| Mol. Mass. | 303.3562 |
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| SMILES | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r| |
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| Structure | 
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