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Target
Cysteine protease
Ligand
BDBM210854
Substrate
n/a
Meas. Tech.
ChEBML_1698165
Ki
2.5±n/a nM
Citation
 Giroud, M; Dietzel, U; Anselm, L; Banner, D; Kuglstatter, A; Benz, J; Blanc, JB; Gaufreteau, D; Liu, H; Lin, X; Stich, A; Kuhn, B; Schuler, F; Kaiser, M; Brun, R; Schirmeister, T; Kisker, C; Diederich, F; Haap, W Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J Med Chem 61:3350-3369 (2018) [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:
BDBM210854
Synonyms:
US9290467, 24 | US9290467, 25 | US9290467, 26
Type:
Small organic molecule
Emp. Form.:
C24H22IN3O4
Mol. Mass.:
543.3537
SMILES:
Ic1cc2C[C@H](NC(=O)c3ccccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18|
Structure:
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