| Reaction Details |
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 | Report a problem with these data |
| Target | Cysteine protease |
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| Ligand | BDBM50574836 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2123441 (CHEMBL4832674) |
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| Ki | 0.450000±n/a nM |
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| Citation |  Jung, S; Fuchs, N; Johe, P; Wagner, A; Diehl, E; Yuliani, T; Zimmer, C; Barthels, F; Zimmermann, RA; Klein, P; Waigel, W; Meyr, J; Opatz, T; Tenzer, S; Distler, U; Räder, HJ; Kersten, C; Engels, B; Hellmich, UA; Klein, J; Schirmeister, T Fluorovinylsulfones and -Sulfonates as Potent Covalent Reversible Inhibitors of the Trypanosomal Cysteine Protease Rhodesain: Structure-Activity Relationship, Inhibition Mechanism, Metabolism, and In Vivo Studies. J Med Chem64:12322-12358 (2021) [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 |
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| Synonyms: | Rhodesain |
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| Type: | PROTEIN |
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| Mol. Mass.: | 48425.78 |
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| Organism: | Trypanosoma brucei rhodesiense |
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| Description: | ChEMBL_619861 |
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| Residue: | 450 |
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| Sequence: | MPRTEMVRFVRLPVVLLAMAACLASVALGSLHVEESLEMRFAAFKKKYGKVYKDAKEEAF
RFRAFEENMEQAKIQAAANPYATFGVTPFSDMTREEFRARYRNGASYFAAAQKRLRKTVN
VTTGRAPAAVDWREKGAVTPVKDQGQCGSCWAFSTIGNIEGQWQVAGNPLVSLSEQMLVS
CDTIDFGCGGGLMDNAFNWIVNSNGGNVFTEASYPYVSGNGEQPQCQMNGHEIGAAITDH
VDLPQDEDAIAAYLAENGPLAIAVDATSFMDYNGGILTSCTSEQLDHGVLLVGYNDSSNP
PYWIIKNSWSNMWGEDGYIRIEKGTNQCLMNQAVSSAVVGGPTPPPPPPPPPSATFTQDF
CEGKGCTKGCSHATFPTGECVQTTGVGSVIATCGASNLTQIIYPLSRSCSGLSVPITVPL
DKCIPILIGSVEYHCSTNPPTKAARLVPHQ
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| BDBM50574836 |
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| n/a |
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| Name | BDBM50574836 |
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| Synonyms: | CHEMBL4871105 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H33N3O5S |
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| Mol. Mass. | 583.697 |
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| SMILES | Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)Oc2ccccc2)cc1 |r| |
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| Structure | 
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