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Target
Cysteine protease
Ligand
BDBM50325652
Substrate
n/a
Meas. Tech.
ChEMBL_652322 (CHEMBL1225525)
Ki
>100000±n/a nM
Citation
 Waag, T; Gelhaus, C; Rath, J; Stich, A; Leippe, M; Schirmeister, T Allicin and derivates are cysteine protease inhibitors with antiparasitic activity. Bioorg Med Chem Lett 20:5541-3 (2010) [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:
BDBM50325652
Synonyms:
CHEMBL1224242 | S-tert-butyl phenylmethanesulfinothioate
Type:
Small organic molecule
Emp. Form.:
C11H16OS2
Mol. Mass.:
228.374
SMILES:
CC(C)(C)SS(=O)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: