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Target
Cysteine protease
Ligand
BDBM50183743
Substrate
n/a
Meas. Tech.
ChEMBL_350622 (CHEMBL869006)
Ki
600±n/a nM
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 Lett 16:2753-7 (2006) [PubMed]  Article 
Target
Name:
Cysteine protease
Synonyms:
Rhodesain
Type:
PROTEIN
Mol. Mass.:
48425.78
Organism:
Trypanosoma brucei rhodesiense
Description:
ChEMBL_619861
Residue:
450
Sequence:
MPRTEMVRFVRLPVVLLAMAACLASVALGSLHVEESLEMRFAAFKKKYGKVYKDAKEEAFRFRAFEENMEQAKIQAAANPYATFGVTPFSDMTREEFRARYRNGASYFAAAQKRLRKTVNVTTGRAPAAVDWREKGAVTPVKDQGQCGSCWAFSTIGNIEGQWQVAGNPLVSLSEQMLVSCDTIDFGCGGGLMDNAFNWIVNSNGGNVFTEASYPYVSGNGEQPQCQMNGHEIGAAITDHVDLPQDEDAIAAYLAENGPLAIAVDATSFMDYNGGILTSCTSEQLDHGVLLVGYNDSSNPPYWIIKNSWSNMWGEDGYIRIEKGTNQCLMNQAVSSAVVGGPTPPPPPPPPPSATFTQDFCEGKGCTKGCSHATFPTGECVQTTGVGSVIATCGASNLTQIIYPLSRSCSGLSVPITVPLDKCIPILIGSVEYHCSTNPPTKAARLVPHQ
  
Inhibitor
Name:
BDBM50183743
Synonyms:
(2S,3S)-dibenzyl 1-((S)-1-((S)-2-(tert-butoxycarbonyl)-4-methylpentanoyl)piperidine-5-carbonyl)aziridine-2,3-dicarboxylate | CHEMBL379355
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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