Reaction Details
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Target
Cysteine protease
Ligand
BDBM50183776
Substrate
n/a
Meas. Tech.
ChEMBL_350622 (CHEMBL869006)
Ki
1200±n/a nM
Citation
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More Info.:
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:
BDBM50183776
Synonyms:
(2S,3S)-dibenzyl 1-((R)-1-((S)-2-(tert-butoxycarbonyl)-4-methylpentanoyl)pyrrolidine-5-carbonyl)aziridine-2,3-dicarboxylate | CHEMBL380076
Type:
Small organic molecule
Emp. Form.:
C34H43N3O8
Mol. Mass.:
621.7205
SMILES:
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)N1[C@@H]([C@H]1C(=O)OCc1ccccc1)C(=O)OCc1ccccc1