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Target
Cysteine protease
Ligand
BDBM50157204
Substrate
n/a
Meas. Tech.
ChEMBL_305932 (CHEMBL833479)
IC50
60±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:
BDBM50157204
Synonyms:
(1E)-1-(3,4-dichlorophenyl)pentan-1-one thiosemicarbazone | (E)-2-(1-(3,4-dichlorophenyl)pentylidene)hydrazinecarbothioamide | CHEMBL181504
Type:
Small organic molecule
Emp. Form.:
C12H15Cl2N3S
Mol. Mass.:
304.239
SMILES:
CCCCC(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:5.5|
Structure:
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