Reaction Details |
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Target | Cysteine protease |
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Ligand | BDBM50322349 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_642739 (CHEMBL1177219) |
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Ki | 2.6±n/a nM |
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Citation | Bova, F; Ettari, R; Micale, N; Carnovale, C; Schirmeister, T; Gelhaus, C; Leippe, M; Grasso, S; Zappalà, M Constrained peptidomimetics as antiplasmodial falcipain-2 inhibitors. Bioorg Med Chem18:4928-38 (2010) [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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BDBM50322349 |
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n/a |
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Name | BDBM50322349 |
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 |
Type | Small organic molecule |
Emp. Form. | C34H38N4O6 |
Mol. Mass. | 598.6887 |
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| |
Structure |
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