Target
Cysteine protease
Ligand
BDBM50258524
Substrate
n/a
Meas. Tech.
ChEBML_1690561
Ki
7.2±n/a nM
Citation
 Previti, SEttari, RCosconati, SAmendola, GChouchene, KWagner, AHellmich, UAUlrich, KKrauth-Siegel, RLWich, PRSchmid, ISchirmeister, TGut, JRosenthal, PJGrasso, SZappalą, 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:
BDBM50258524
Synonyms:
CHEMBL4081250
Type:
Small organic molecule
Emp. Form.:
C34H33N3O7S
Mol. Mass.:
627.707
SMILES:
[O-][N+](=O)c1ccc(COC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)\C=C\S(=O)(=O)c2ccccc2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: