BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCysteine protease
LigandBDBM50463154
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2284570
IC50 31±n/a nM
Citation Rocha, DASilva, EBFortes, ISLopes, MSFerreira, RSAndrade, SF Synthesis and structure-activity relationship studies of cruzain and rhodesain inhibitors. Eur J Med Chem157:1426-1459 (2018) [PubMed]
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:
BDBM50463154
n/a
NameBDBM50463154
Synonyms:CHEMBL4251480
TypeSmall organic molecule
Emp. Form.C32H34N2O6
Mol. Mass.542.6222
SMILESCCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: