| Reaction Details |
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 | Report a problem with these data |
| Target | Cysteine protease |
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| Ligand | BDBM50322349 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1587357 (CHEMBL3826522) |
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| Ki | 2.6±n/a nM |
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| Citation |  Ettari, R; Previti, S; Cosconati, S; Maiorana, S; Schirmeister, T; Grasso, S; Zappalą, M Development of novel 1,4-benzodiazepine-based Michael acceptors as antitrypanosomal agents. Bioorg Med Chem Lett26:3453-6 (2016) [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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| BDBM50322349 |
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| n/a |
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| Name | BDBM50322349 |
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| Synonyms: | (R)-Methyl4-(2-(3-((adamantan-1-ylcarbamoyloxy)methyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)acetamido)but-2-enoate | CHEMBL1171802 |
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| Type | Small organic molecule |
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| Emp. Form. | C34H38N4O6 |
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| Mol. Mass. | 598.6887 |
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| SMILES | COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O)c1ccccc1 |r,c:19,TLB:25:26:29:33.32.31,THB:27:28:31:35.26.34,27:26:29.28.33:31,34:26:29:33.32.31,34:32:29:35.27.26,25:26:29.28.33:31| |
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| Structure | 
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