Reaction Details Report a problem with these data
Target
Cysteine protease
Ligand
BDBM50258506
Substrate
n/a
Meas. Tech.
ChEBML_1690561
Ki
0.500000±n/a nM
Citation
 Previti, S; Ettari, R; Cosconati, S; Amendola, G; Chouchene, K; Wagner, A; Hellmich, UA; Ulrich, K; Krauth-Siegel, RL; Wich, PR; Schmid, I; Schirmeister, T; Gut, J; Rosenthal, PJ; Grasso, S; Zappalą, M Development of Novel Peptide-Based Michael Acceptors Targeting Rhodesain and Falcipain-2 for the Treatment of Neglected Tropical Diseases (NTDs). J Med Chem 60:6911-6923 (2017) [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:
BDBM50258506
Synonyms:
CHEMBL4072275
Type:
Small organic molecule
Emp. Form.:
C27H34N2O4
Mol. Mass.:
450.5699
SMILES:
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(C)=O |r|
Structure:
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