Reaction Details |
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Target | Cysteine protease |
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Ligand | BDBM50183765 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_350622 (CHEMBL869006) |
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Ki | 700±n/a nM |
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Citation | Vicik, R; Hoerr, V; Glaser, M; Schultheis, M; Hansell, E; McKerrow, JH; Holzgrabe, U; Caffrey, CR; Ponte-Sucre, A; Moll, H; Stich, A; Schirmeister, T Aziridine-2,3-dicarboxylate inhibitors targeting the major cysteine protease of Trypanosoma brucei as lead trypanocidal agents. Bioorg Med Chem Lett16:2753-7 (2006) [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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BDBM50183765 |
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n/a |
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Name | BDBM50183765 |
Synonyms: | (2S,3S)-dibenzyl 1-((S)-1-((R)-2-(tert-butoxycarbonyl)-4-methylpentanoyl)piperidine-5-carbonyl)aziridine-2,3-dicarboxylate | CHEMBL208297 |
Type | Small organic molecule |
Emp. Form. | C35H45N3O8 |
Mol. Mass. | 635.7471 |
SMILES | CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C1)C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |
Structure |
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