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Target
Cysteine protease
Ligand
BDBM50611827
Substrate
n/a
Meas. Tech.
ChEMBL_2284570
IC50
16±n/a nM
Citation
 Rocha, DA; Silva, EB; Fortes, IS; Lopes, MS; Ferreira, RS; Andrade, SF Synthesis and structure-activity relationship studies of cruzain and rhodesain inhibitors. Eur J Med Chem 157:1426-1459 (2018) [PubMed] 
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:
BDBM50611827
Synonyms:
CHEMBL5275445
Type:
Small organic molecule
Emp. Form.:
C28H34N2O6
Mol. Mass.:
494.5794
SMILES:
CCOC(=O)\C=C/C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Structure:
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