Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCysteine protease
LigandBDBM50157205
Substrate/Competitorn/a
Meas. Tech.ChEMBL_305932 (CHEMBL833479)
IC50 80±n/a nM
Citation Fujii, NMallari, JPHansell, EJMackey, ZDoyle, PZhou, YMGut, JRosenthal, PJMcKerrow, JHGuy, RK Discovery of potent thiosemicarbazone inhibitors of rhodesain and cruzain. Bioorg Med Chem Lett15:121-3 (2004) [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:
BDBM50157205
n/a
NameBDBM50157205
Synonyms:(1E)-1-(3,4-dichlorophenyl)-2-phenylethan-1-one thiosemicarbazone | CHEMBL183767
TypeSmall organic molecule
Emp. Form.C15H13Cl2N3S
Mol. Mass.338.255
SMILESNC(=S)NN=C(Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: