Reaction Details |
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Target | Cysteine protease |
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Ligand | BDBM50263688 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1698204 |
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Ki | 25±n/a nM |
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Citation | Giroud, M; Kuhn, B; Saint-Auret, S; Kuratli, C; Martin, RE; Schuler, F; Diederich, F; Kaiser, M; Brun, R; Schirmeister, T; Haap, W 2 H-1,2,3-Triazole-Based Dipeptidyl Nitriles: Potent, Selective, and Trypanocidal Rhodesain Inhibitors by Structure-Based Design. J Med Chem61:3370-3388 (2018) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cysteine protease |
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Name: | Cysteine protease |
Synonyms: | Rhodesain |
Type: | PROTEIN |
Mol. Mass.: | 48425.78 |
Organism: | Trypanosoma brucei rhodesiense |
Description: | ChEMBL_619861 |
Residue: | 450 |
Sequence: | MPRTEMVRFVRLPVVLLAMAACLASVALGSLHVEESLEMRFAAFKKKYGKVYKDAKEEAF
RFRAFEENMEQAKIQAAANPYATFGVTPFSDMTREEFRARYRNGASYFAAAQKRLRKTVN
VTTGRAPAAVDWREKGAVTPVKDQGQCGSCWAFSTIGNIEGQWQVAGNPLVSLSEQMLVS
CDTIDFGCGGGLMDNAFNWIVNSNGGNVFTEASYPYVSGNGEQPQCQMNGHEIGAAITDH
VDLPQDEDAIAAYLAENGPLAIAVDATSFMDYNGGILTSCTSEQLDHGVLLVGYNDSSNP
PYWIIKNSWSNMWGEDGYIRIEKGTNQCLMNQAVSSAVVGGPTPPPPPPPPPSATFTQDF
CEGKGCTKGCSHATFPTGECVQTTGVGSVIATCGASNLTQIIYPLSRSCSGLSVPITVPL
DKCIPILIGSVEYHCSTNPPTKAARLVPHQ
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BDBM50263688 |
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n/a |
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Name | BDBM50263688 |
Synonyms: | CHEMBL4069564 |
Type | Small organic molecule |
Emp. Form. | C23H17BrClF3N6O3 |
Mol. Mass. | 597.772 |
SMILES | FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccc(Br)cc2)C(=O)NC2(CC2)C#N)cc1Cl |r| |
Structure |
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