Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCysteine protease
LigandBDBM50258524
Substrate/Competitorn/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 Chem60:6911-6923 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cysteine protease
Name:Cysteine protease
Synonyms:Rhodesain
Type:PROTEIN
Mol. Mass.:48425.78
Organism:Trypanosoma brucei rhodesiense
Description:ChEMBL_619861
Residue:450
Sequence:
MPRTEMVRFVRLPVVLLAMAACLASVALGSLHVEESLEMRFAAFKKKYGKVYKDAKEEAF
RFRAFEENMEQAKIQAAANPYATFGVTPFSDMTREEFRARYRNGASYFAAAQKRLRKTVN
VTTGRAPAAVDWREKGAVTPVKDQGQCGSCWAFSTIGNIEGQWQVAGNPLVSLSEQMLVS
CDTIDFGCGGGLMDNAFNWIVNSNGGNVFTEASYPYVSGNGEQPQCQMNGHEIGAAITDH
VDLPQDEDAIAAYLAENGPLAIAVDATSFMDYNGGILTSCTSEQLDHGVLLVGYNDSSNP
PYWIIKNSWSNMWGEDGYIRIEKGTNQCLMNQAVSSAVVGGPTPPPPPPPPPSATFTQDF
CEGKGCTKGCSHATFPTGECVQTTGVGSVIATCGASNLTQIIYPLSRSCSGLSVPITVPL
DKCIPILIGSVEYHCSTNPPTKAARLVPHQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50258524
n/a
NameBDBM50258524
Synonyms:CHEMBL4081250
TypeSmall 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:Similarity to this molecule at least: