Reaction Details |
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Target | Cysteine protease |
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Ligand | BDBM50263585 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1698165 |
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Ki | 258±n/a nM |
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Citation | Giroud, M; Dietzel, U; Anselm, L; Banner, D; Kuglstatter, A; Benz, J; Blanc, JB; Gaufreteau, D; Liu, H; Lin, X; Stich, A; Kuhn, B; Schuler, F; Kaiser, M; Brun, R; Schirmeister, T; Kisker, C; Diederich, F; Haap, W Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J Med Chem61:3350-3369 (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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BDBM50263585 |
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n/a |
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Name | BDBM50263585 |
Synonyms: | CHEMBL4065352 |
Type | Small organic molecule |
Emp. Form. | C25H23ClF3N3O3 |
Mol. Mass. | 505.917 |
SMILES | FC(F)(F)C1N[C@@H](Cc2ccc(OC\C=C\COc3ccccc13)c(Cl)c2)C(=O)NC1(CC1)C#N |r,t:14| |
Structure |
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