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Target
Cysteine protease
Ligand
BDBM50157209
Substrate
n/a
Meas. Tech.
ChEMBL_305932 (CHEMBL833479)
IC50
90±n/a nM
Citation
 Fujii, N; Mallari, JP; Hansell, EJ; Mackey, Z; Doyle, P; Zhou, YM; Gut, J; Rosenthal, PJ; McKerrow, JH; Guy, RK Discovery of potent thiosemicarbazone inhibitors of rhodesain and cruzain. Bioorg Med Chem Lett 15:121-3 (2004) [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:
BDBM50157209
Synonyms:
(1E)-1-(3,4-dichlorophenyl)-3-phenylpropan-1-one thiosemicarbazone | CHEMBL183005
Type:
Small organic molecule
Emp. Form.:
C16H15Cl2N3S
Mol. Mass.:
352.281
SMILES:
NC(=S)NN=C(CCc1ccccc1)c1ccc(Cl)c(Cl)c1 |w:4.3|
Structure:
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