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Target
Cysteine protease
Ligand
BDBM50509385
Substrate
n/a
Meas. Tech.
ChEMBL_1838249 (CHEMBL4338382)
Ki
2.1±n/a nM
Citation
 Ettari, R; Previti, S; Maiorana, S; Amendola, G; Wagner, A; Cosconati, S; Schirmeister, T; Hellmich, UA; Zappalą, M Optimization Strategy of Novel Peptide-Based Michael Acceptors for the Treatment of Human African Trypanosomiasis. J Med Chem 62:10617-10629 (2019) [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:
BDBM50509385
Synonyms:
CHEMBL4454883
Type:
Small organic molecule
Emp. Form.:
C31H32N2O5
Mol. Mass.:
512.5962
SMILES:
CC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc2OCOc2c1 |r|
Structure:
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