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Target
Cysteine protease
Ligand
BDBM50183751
Substrate
n/a
Meas. Tech.
ChEMBL_350622 (CHEMBL869006)
Ki
1600±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:
BDBM50183751
Synonyms:
(2S,3S)-diethyl 1-((S)-1-((R)-2-(tert-butoxycarbonyl)-4-methylpentanoyl)aziridine-2-carbonyl)aziridine-2,3-dicarboxylate | CHEMBL382910
Type:
Small organic molecule
Emp. Form.:
C22H35N3O8
Mol. Mass.:
469.5286
SMILES:
CCOC(=O)[C@@H]1[C@H](N1C(=O)[C@@H]1CN1C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)OCC
Structure:
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