Reaction Details Report a problem with these data
Target
Cysteine protease
Ligand
BDBM50157211
Substrate
n/a
Meas. Tech.
ChEMBL_305932 (CHEMBL833479)
IC50
38±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:
BDBM50157211
Synonyms:
(E)-(3,4-dichlorophenyl)(4-methylphenyl)methanone thiosemicarbazone | CHEMBL182795
Type:
Small organic molecule
Emp. Form.:
C15H13Cl2N3S
Mol. Mass.:
338.255
SMILES:
Cc1ccc(cc1)C(=NNC(N)=S)c1ccc(Cl)c(Cl)c1 |w:8.9|
Structure:
Search PDB for entries with ligand similarity: